methyl 2-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidine-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-[[4-(1-pyrrolyl)phenyl]methyl]-1-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-pyrrol-1-ylphenyl)methyl]piperidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-(4-pyrrol-1-ylbenzyl)piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)CC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCC(CC2)CC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-31-24(29)22-6-2-3-7-23(22)26-25(30)28-16-12-20(13-17-28)18-19-8-10-21(11-9-19)27-14-4-5-15-27/h2-11,14-15,20H,12-13,16-18H2,1H3,(H,26,30)