2-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[[3-(aminomethyl)phenyl]methylcarbamoyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[[3-(aminomethyl)benzyl]carbamoyl]piperidino]ethyl ester Formula: C24H31ClN4O4 MolecularWeight: 474.98034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)C(=O)NCC3=CC=CC(=C3)CN)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)C(=O)NCC3=CC=CC(=C3)CN)Cl)N

InChI

InChI=1S/C24H31ClN4O4/c1-32-22-13-21(27)20(25)12-19(22)24(31)33-10-9-29-7-5-18(6-8-29)23(30)28-15-17-4-2-3-16(11-17)14-26/h2-4,11-13,18H,5-10,14-15,26-27H2,1H3,(H,28,30)