ethyl 3-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-[[4-(1-pyrrolyl)phenyl]methyl]-1-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(4-pyrrol-1-ylbenzyl)piperidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)CC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)CC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-2-32-25(30)22-6-5-7-23(19-22)27-26(31)29-16-12-21(13-17-29)18-20-8-10-24(11-9-20)28-14-3-4-15-28/h3-11,14-15,19,21H,2,12-13,16-18H2,1H3,(H,27,31)