2-[1-(3-fluoranyl-5-propan-2-yloxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-(3-fluoranyl-5-propan-2-yloxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(3-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]acetic acid CAS Name: 2-[1-[(3-fluoro-5-propan-2-yloxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(3-fluoro-5-propan-2-yloxybenzoyl)-6,7-dimethoxyisoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(3-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]acetic acid Formula: C23H22FNO6 MolecularWeight: 427.422283

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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)CC(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C23H22FNO6/c1-12(2)31-16-6-13(5-15(24)8-16)23(28)22-18-10-20(30-4)19(29-3)9-17(18)14(11-25-22)7-21(26)27/h5-6,8-12H,7H2,1-4H3,(H,26,27)