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

Systemtic Name: 2-[1-(2-fluoranyl-5-propan-2-yloxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]-4-methyl-pentanoic acid Openeye Name: 2-[1-(2-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]-4-methyl-pentanoic acid CAS Name: 2-[1-[(2-fluoro-5-propan-2-yloxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]-4-methylpentanoic acid IUPAC Name: 2-[1-(2-fluoro-5-propan-2-yloxybenzoyl)-6,7-dimethoxyisoquinolin-4-yl]-4-methylpentanoic acid Traditional Name: 2-[1-(2-fluoro-5-isopropoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]-4-methyl-valeric acid Formula: C27H30FNO6 MolecularWeight: 483.528603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=C(C=CC(=C3)OC(C)C)F)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=C(C=CC(=C3)OC(C)C)F)C(=O)O

InChI

InChI=1S/C27H30FNO6/c1-14(2)9-19(27(31)32)21-13-29-25(18-12-24(34-6)23(33-5)11-17(18)21)26(30)20-10-16(35-15(3)4)7-8-22(20)28/h7-8,10-15,19H,9H2,1-6H3,(H,31,32)