1-[(2,5-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-isoquinolin-6-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(6-isoquinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(6-isoquinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-isoquinolin-6-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-(6-isoquinolyl)methyl]isonipecotic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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