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

Systemtic Name: 1-[(3,5-dimethylphenyl)-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(2-quinolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

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

InChI

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