1-[(4-phenylphenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylphenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-phenylphenyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylphenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylphenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-phenylphenyl)-(2-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=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

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