4-[1-azanyl-3-(3-chlorophenyl)-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(3-chlorophenyl)-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-(3-chlorophenyl)-2-[2-(1-piperidyl)phenyl]ethyl]benzoic acid CAS Name: 4-[1-amino-3-(3-chlorophenyl)-1-oxo-3-[2-(1-piperidinyl)phenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(3-chlorophenyl)-1-oxo-3-(2-piperidin-1-ylphenyl)propan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(3-chlorophenyl)-2-(2-piperidinophenyl)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(=CC=C3)Cl)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

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

InChI

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