1-(3-fluoranyl-5-propan-2-yloxy-phenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid

Systemtic Name: 1-(3-fluoranyl-5-propan-2-yloxy-phenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-(3-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[(3-fluoro-5-propan-2-yloxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-(3-fluoro-5-propan-2-yloxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-(3-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C22H20FNO6 MolecularWeight: 413.395703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO6/c1-11(2)30-14-6-12(5-13(23)7-14)21(25)20-16-9-19(29-4)18(28-3)8-15(16)17(10-24-20)22(26)27/h5-11H,1-4H3,(H,26,27)