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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=NC5=CC=CC=C45)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=NC5=CC=CC=C45)C(=O)O

InChI

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