1-[(2,5-dimethylphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethylphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(3-quinolyl)methyl]isonipecotic acid Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H26N2O2/c1-16-7-8-17(2)21(13-16)23(26-11-9-18(10-12-26)24(27)28)20-14-19-5-3-4-6-22(19)25-15-20/h3-8,13-15,18,23H,9-12H2,1-2H3,(H,27,28)