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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)C

InChI

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