1-(3,5-dimethoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(3,5-dimethoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(3,5-dimethoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3,5-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(3,5-dimethoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O)OC

InChI

InChI=1S/C21H19NO7/c1-26-12-5-11(6-13(7-12)27-2)20(23)19-15-9-18(29-4)17(28-3)8-14(15)16(10-22-19)21(24)25/h5-10H,1-4H3,(H,24,25)