4-[2-oxidanylidene-2-[[(4-phenylmethoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-[[(4-phenylmethoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[(4-benzyloxyphenyl)-[2-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-oxo-2-[[(4-phenylmethoxyphenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-oxo-2-[[(4-phenylmethoxyphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]ethyl]benzoic acid Traditional Name: 4-[2-[[(4-benzoxyphenyl)-(2-piperidinophenyl)methyl]amino]-2-keto-ethyl]benzoic acid Formula: C34H34N2O4 MolecularWeight: 534.64476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C34H34N2O4/c37-32(23-25-13-15-28(16-14-25)34(38)39)35-33(30-11-5-6-12-31(30)36-21-7-2-8-22-36)27-17-19-29(20-18-27)40-24-26-9-3-1-4-10-26/h1,3-6,9-20,33H,2,7-8,21-24H2,(H,35,37)(H,38,39)