1-[(4-phenylphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-phenylphenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-phenylphenyl)-(3-quinolyl)methyl]nipecotic acid Formula: C28H26N2O2 MolecularWeight: 422.51824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4)C(=O)O

InChI

InChI=1S/C28H26N2O2/c31-28(32)24-10-6-16-30(19-24)27(25-17-23-9-4-5-11-26(23)29-18-25)22-14-12-21(13-15-22)20-7-2-1-3-8-20/h1-5,7-9,11-15,17-18,24,27H,6,10,16,19H2,(H,31,32)