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

Systemtic Name: 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(3-phenylpropanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(1-oxo-3-phenylpropyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(3-phenylpropanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(hydrocinnamoylamino)piperidino]ethyl ester Formula: C24H30ClN3O4 MolecularWeight: 459.9657

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C24H30ClN3O4/c1-31-22-16-21(26)20(25)15-19(22)24(30)32-14-13-28-11-9-18(10-12-28)27-23(29)8-7-17-5-3-2-4-6-17/h2-6,15-16,18H,7-14,26H2,1H3,(H,27,29)