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

Systemtic Name: 1-[(4-methylphenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[p-tolyl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[p-tolyl(4-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=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O

Isomeric SMILES

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

InChI

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