1-[2,6-bis(fluoranyl)-3-methoxy-phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-[2,6-bis(fluoranyl)-3-methoxy-phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(2,6-difluoro-3-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(2,6-difluoro-3-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(2,6-difluoro-3-methoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(2,6-difluoro-3-methoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C20H15F2NO6 MolecularWeight: 403.333006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15F2NO6/c1-27-13-5-4-12(21)16(17(13)22)19(24)18-10-7-15(29-3)14(28-2)6-9(10)11(8-23-18)20(25)26/h4-8H,1-3H3,(H,25,26)