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

Systemtic Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCC(C4)C(=O)O)C

InChI

InChI=1S/C24H26N2O2/c1-16-10-17(2)12-22(11-16)23(26-9-3-4-21(15-26)24(27)28)19-5-6-20-14-25-8-7-18(20)13-19/h5-8,10-14,21,23H,3-4,9,15H2,1-2H3,(H,27,28)