1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O)C

InChI

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