4-[1-azanyl-3-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-pentan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-chloranyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-pentan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-chloro-2-(1-piperidyl)phenyl]butyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(1-piperidinyl)phenyl]-1-oxopentan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-chloro-2-piperidin-1-ylphenyl)-1-oxopentan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-chloro-2-piperidino-phenyl)butyl]benzoic acid Formula: C23H27ClN2O3 MolecularWeight: 414.92508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCC(C1=C(C=CC(=C1)Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H27ClN2O3/c1-2-18(21(22(25)27)15-6-8-16(9-7-15)23(28)29)19-14-17(24)10-11-20(19)26-12-4-3-5-13-26/h6-11,14,18,21H,2-5,12-13H2,1H3,(H2,25,27)(H,28,29)