HMDB0253750 RDKit 3D 4-Nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carboxylate 55 58 0 0 0 0 0 0 0 0999 V2000 4.4355 0.8430 -1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 -0.0053 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5794 -0.7451 0.3993 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9614 -0.5187 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8604 -1.1965 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1978 -0.9174 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 0.0357 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0253 0.3214 0.8687 N 0 0 0 0 0 4 0 0 0 0 0 0 10.4613 1.1743 1.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9239 -0.3592 0.1023 O 0 0 0 0 0 1 0 0 0 0 0 0 7.7394 0.7380 1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4117 0.4310 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4074 -0.1913 -0.6179 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 0.6011 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5321 -0.2739 -2.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3834 -0.4843 -0.9650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 0.5222 -1.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4163 0.4574 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 1.2019 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 1.1366 2.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 0.3356 2.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -0.4113 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6246 -1.2155 0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7433 -0.6430 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8949 -0.7461 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9777 -0.2068 -1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9257 0.4524 -1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7930 0.5678 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7144 0.0264 0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5264 -0.3478 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 -0.6554 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 -1.1543 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4834 -1.9474 -0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9183 -1.4711 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 1.4733 2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 0.9880 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 0.9841 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 1.4744 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 -1.2635 -2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 0.2113 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 0.4602 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8651 1.5168 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 1.8492 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 1.7193 3.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 0.2816 2.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1327 -1.2703 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0746 -0.2995 -2.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7729 0.8737 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5883 1.1063 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6157 0.1215 1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 -0.9586 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 0.2235 0.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 -1.4647 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6835 -2.1663 -0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 -1.2146 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 22 30 2 0 16 31 1 0 31 32 1 0 12 4 1 0 32 13 1 0 30 18 1 0 29 24 1 0 5 33 1 0 6 34 1 0 11 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 31 53 1 0 32 54 1 0 32 55 1 0 M CHG 2 8 1 10 -1 M END