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

Systemtic Name: 1-[2,6-bis(fluoranyl)-3-propan-2-yloxy-phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(2,6-difluoro-3-isopropoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(2,6-difluoro-3-propan-2-yloxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(2,6-difluoro-3-propan-2-yloxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(2,6-difluoro-3-isopropoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C22H19F2NO6 MolecularWeight: 431.386166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=C(C=C1)F)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O)F

Isomeric SMILES

CC(C)OC1=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/C22H19F2NO6/c1-10(2)31-15-6-5-14(23)18(19(15)24)21(26)20-12-8-17(30-4)16(29-3)7-11(12)13(9-25-20)22(27)28/h5-10H,1-4H3,(H,27,28)