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

Systemtic Name: 1-[(3-methylphenyl)-quinolin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[m-tolyl(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-quinolin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-tolyl(4-quinolyl)methyl]isonipecotic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=NC3=CC=CC=C23)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=NC3=CC=CC=C23)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H24N2O2/c1-16-5-4-6-18(15-16)22(25-13-10-17(11-14-25)23(26)27)20-9-12-24-21-8-3-2-7-19(20)21/h2-9,12,15,17,22H,10-11,13-14H2,1H3,(H,26,27)