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

Systemtic Name: 1-[(3-methylphenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(3-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(3-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=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O

InChI

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