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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C24H26N2O4/c1-29-21-6-5-19(14-22(21)30-2)23(26-11-8-16(9-12-26)24(27)28)18-3-4-20-15-25-10-7-17(20)13-18/h3-7,10,13-16,23H,8-9,11-12H2,1-2H3,(H,27,28)