4-(1-azanyl-1-oxidanylidene-3,3-diphenyl-propan-2-yl)benzoic acid; 3-chloranylpiperidine

Systemtic Name: 4-(1-azanyl-1-oxidanylidene-3,3-diphenyl-propan-2-yl)benzoic acid; 3-chloranylpiperidine Openeye Name: 4-(2-amino-1-benzhydryl-2-oxo-ethyl)benzoic acid; 3-chloropiperidine CAS Name: 4-(1-amino-1-oxo-3,3-diphenylpropan-2-yl)benzoic acid; 3-chloropiperidine IUPAC Name: 4-(1-amino-1-oxo-3,3-diphenylpropan-2-yl)benzoic acid; 3-chloropiperidine Traditional Name: 4-(2-amino-1-benzhydryl-2-keto-ethyl)benzoic acid; 3-chloropiperidine Formula: C27H29ClN2O3 MolecularWeight: 464.98376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)Cl.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CC(CNC1)Cl.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H19NO3.C5H10ClN/c23-21(24)20(17-11-13-18(14-12-17)22(25)26)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16;6-5-2-1-3-7-4-5/h1-14,19-20H,(H2,23,24)(H,25,26);5,7H,1-4H2