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

Systemtic Name: 1-[(3-methylphenyl)-quinolin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[m-tolyl(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-quinolin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[m-tolyl(2-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=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

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