1-[(2,3-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC3=C(C=C2)C=NC=C3)N4CCC(CC4)C(=O)O

InChI

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