1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(6-isoquinolyl)methyl]pipecolinic acid Formula: C24H26N2O2 MolecularWeight: 374.47544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O)C

InChI

InChI=1S/C24H26N2O2/c1-16-11-17(2)13-21(12-16)23(26-10-4-3-5-22(26)24(27)28)19-6-7-20-15-25-9-8-18(20)14-19/h6-9,11-15,22-23H,3-5,10H2,1-2H3,(H,27,28)