HMDB0246282 RDKit 3D 4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoate 52 54 0 0 0 0 0 0 0 0999 V2000 -8.9186 0.0102 -1.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4680 0.0628 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3541 0.0501 0.2357 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.0131 0.1361 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4777 0.1963 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1047 0.2654 0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2292 0.2772 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7543 0.3538 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 -1.0321 0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7302 -1.0016 0.3382 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.0131 -1.4795 -0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 -0.4617 -1.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3785 0.5611 -0.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 0.7648 -1.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 1.8133 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 1.8161 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 0.7500 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3593 1.0857 1.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1898 0.1568 2.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 -1.1804 1.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9361 -2.3652 2.6484 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7147 -1.5801 1.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -0.5909 0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 0.3480 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 0.2693 0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 0.2167 -1.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1554 0.1466 -1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1464 0.1886 1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7068 0.3114 1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 0.9218 0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 0.9098 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -1.5639 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 -1.6007 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5239 -1.6852 1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7701 -1.9518 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6728 -2.3249 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.0247 -2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -1.0102 -2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.1165 -1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 1.2144 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 2.8574 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 2.8399 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6209 2.1139 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 0.4631 2.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 -2.6092 1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -0.9491 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6961 -0.6065 0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 1.1808 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6893 1.1261 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 0.3525 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0976 0.2246 -2.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5652 0.1002 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 13 24 1 0 24 25 1 0 7 26 1 0 26 27 2 0 27 4 1 0 25 10 1 0 23 17 1 0 5 28 1 0 6 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 18 43 1 0 19 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 M CHG 2 3 -1 10 1 M END