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

Systemtic Name: 4-[1-azanyl-3-(5-chloranyl-2-piperidin-1-yl-phenyl)-4-methyl-1-oxidanylidene-pentan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[5-chloro-2-(1-piperidyl)phenyl]-3-methyl-butyl]benzoic acid CAS Name: 4-[1-amino-3-[5-chloro-2-(1-piperidinyl)phenyl]-4-methyl-1-oxopentan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-chloro-2-piperidin-1-ylphenyl)-4-methyl-1-oxopentan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(5-chloro-2-piperidino-phenyl)-3-methyl-butyl]benzoic acid Formula: C24H29ClN2O3 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O3/c1-15(2)21(22(23(26)28)16-6-8-17(9-7-16)24(29)30)19-14-18(25)10-11-20(19)27-12-4-3-5-13-27/h6-11,14-15,21-22H,3-5,12-13H2,1-2H3,(H2,26,28)(H,29,30)