1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-3-carboxylic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline-3-carboxylic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)C(=O)O)OC

InChI

InChI=1S/C21H21NO6/c1-25-17-6-5-12(8-18(17)26-2)7-15-14-11-20(28-4)19(27-3)10-13(14)9-16(22-15)21(23)24/h5-6,8-11H,7H2,1-4H3,(H,23,24)