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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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