1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(2-fluoro-5-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(2-fluoro-5-methoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C20H16FNO6 MolecularWeight: 385.342543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FNO6/c1-26-10-4-5-15(21)13(6-10)19(23)18-12-8-17(28-3)16(27-2)7-11(12)14(9-22-18)20(24)25/h4-9H,1-3H3,(H,24,25)