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

Systemtic Name: 1-[phenyl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[phenyl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[phenyl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[phenyl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[phenyl(4-quinolyl)methyl]nipecotic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C22H22N2O2/c25-22(26)17-9-6-14-24(15-17)21(16-7-2-1-3-8-16)19-12-13-23-20-11-5-4-10-18(19)20/h1-5,7-8,10-13,17,21H,6,9,14-15H2,(H,25,26)