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

Systemtic Name: 1-[(3-methylphenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(4-quinolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

InChI

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