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

Systemtic Name: 1-[(3,5-dimethylphenyl)-quinolin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-quinolin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-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=CC=NC3=CC=CC=C23)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

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

InChI

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