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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=NC5=CC=CC=C45

InChI

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