4-[1-azanyl-3-(2-chloranyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(2-chloranyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-chloro-6-(1-piperidyl)phenyl]-2-phenyl-ethyl]benzoic acid CAS Name: 4-[1-amino-3-[2-chloro-6-(1-piperidinyl)phenyl]-1-oxo-3-phenylpropan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(2-chloro-6-piperidin-1-ylphenyl)-1-oxo-3-phenylpropan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-chloro-6-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=C2)Cl)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=C2)Cl)C(C3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C27H27ClN2O3/c28-21-10-7-11-22(30-16-5-2-6-17-30)25(21)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)