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

Systemtic Name: 2-[1-(2-fluoranyl-5-propan-2-yloxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]propanoic acid Openeye Name: 2-[1-(2-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]propanoic acid CAS Name: 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]propanoic acid IUPAC Name: 2-[1-(2-fluoro-5-propan-2-yloxybenzoyl)-6,7-dimethoxyisoquinolin-4-yl]propanoic acid Traditional Name: 2-[1-(2-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]propionic acid Formula: C24H24FNO6 MolecularWeight: 441.448863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FNO6/c1-12(2)32-14-6-7-19(25)17(8-14)23(27)22-16-10-21(31-5)20(30-4)9-15(16)18(11-26-22)13(3)24(28)29/h6-13H,1-5H3,(H,28,29)