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

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(2,6-difluorobenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(2,6-difluorophenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(2,6-difluorobenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(2,6-difluorobenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C19H13F2NO5 MolecularWeight: 373.307026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=C(C=CC=C3F)F)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=C(C=CC=C3F)F)C(=O)O)OC

InChI

InChI=1S/C19H13F2NO5/c1-26-14-6-9-10(7-15(14)27-2)17(22-8-11(9)19(24)25)18(23)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,24,25)