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

Systemtic Name: 1-[(2-methylphenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[o-tolyl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[o-tolyl(4-quinolyl)methyl]nipecotic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

InChI

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