1-[(2,6-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(6-isoquinolyl)methyl]pipecolinic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C24H26N2O4/c1-29-20-7-5-8-21(30-2)22(20)23(26-13-4-3-6-19(26)24(27)28)17-9-10-18-15-25-12-11-16(18)14-17/h5,7-12,14-15,19,23H,3-4,6,13H2,1-2H3,(H,27,28)