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

Systemtic Name: 4-[1-azanyl-3-(3-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[3-chloro-2-(1-piperidyl)phenyl]-2-phenyl-ethyl]benzoic acid CAS Name: 4-[1-amino-3-[3-chloro-2-(1-piperidinyl)phenyl]-1-oxo-3-phenylpropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(3-chloro-2-piperidin-1-ylphenyl)-1-oxo-3-phenylpropan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(3-chloro-2-piperidino-phenyl)-2-phenyl-ethyl]benzoic acid Formula: C27H27ClN2O3 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=C2Cl)C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C27H27ClN2O3/c28-22-11-7-10-21(25(22)30-16-5-2-6-17-30)23(18-8-3-1-4-9-18)24(26(29)31)19-12-14-20(15-13-19)27(32)33/h1,3-4,7-15,23-24H,2,5-6,16-17H2,(H2,29,31)(H,32,33)