[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl] 3-oxidanyl-5-oxidanylidene-hept-6-enoate

Systemtic Name: [4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl] 3-oxidanyl-5-oxidanylidene-hept-6-enoate Openeye Name: [4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl] 3-hydroxy-5-oxo-hept-6-enoate CAS Name: 3-hydroxy-5-oxo-6-heptenoic acid [4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl] ester IUPAC Name: [4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl] 3-hydroxy-5-oxohept-6-enoate Traditional Name: 3-hydroxy-5-keto-hept-6-enoic acid [4-(4-fluorophenyl)-2-isopropyl-1-keto-3-isoquinolyl] ester Formula: C25H24FNO5 MolecularWeight: 437.460163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)OC(=O)CC(CC(=O)C=C)O

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)OC(=O)CC(CC(=O)C=C)O

InChI

InChI=1S/C25H24FNO5/c1-4-18(28)13-19(29)14-22(30)32-25-23(16-9-11-17(26)12-10-16)20-7-5-6-8-21(20)24(31)27(25)15(2)3/h4-12,15,19,29H,1,13-14H2,2-3H3