6,7-dimethoxy-1-(3-methoxy-5-methyl-phenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-(3-methoxy-5-methyl-phenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-(3-methoxy-5-methyl-benzoyl)isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[(3-methoxy-5-methylphenyl)-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-(3-methoxy-5-methylbenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-(3-methoxy-5-methyl-benzoyl)isoquinoline-4-carboxylic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O)OC

InChI

InChI=1S/C21H19NO6/c1-11-5-12(7-13(6-11)26-2)20(23)19-15-9-18(28-4)17(27-3)8-14(15)16(10-22-19)21(24)25/h5-10H,1-4H3,(H,24,25)