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

Systemtic Name: 4-[2-[[(4-chlorophenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[[(4-chlorophenyl)-[2-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[(4-chlorophenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[(4-chlorophenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[[(4-chlorophenyl)-(2-piperidinophenyl)methyl]amino]-2-keto-ethyl]benzoic acid Formula: C27H27ClN2O3 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=C(C=C3)Cl)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=C(C=C3)Cl)NC(=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H27ClN2O3/c28-22-14-12-20(13-15-22)26(23-6-2-3-7-24(23)30-16-4-1-5-17-30)29-25(31)18-19-8-10-21(11-9-19)27(32)33/h2-3,6-15,26H,1,4-5,16-18H2,(H,29,31)(H,32,33)