(E)-7-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: (E)-7-[4-(4-fluorophenyl)-1-oxidanylidene-2-propan-2-yl-isoquinolin-3-yl]-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: (E)-7-[4-(4-fluorophenyl)-2-isopropyl-1-oxo-3-isoquinolyl]-3,5-dihydroxy-hept-6-enoate CAS Name: (E)-7-[4-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3-isoquinolinyl]-3,5-dihydroxy-6-heptenoate IUPAC Name: (E)-7-[4-(4-fluorophenyl)-1-oxo-2-propan-2-ylisoquinolin-3-yl]-3,5-dihydroxyhept-6-enoate Traditional Name: (E)-7-[4-(4-fluorophenyl)-2-isopropyl-1-keto-3-isoquinolyl]-3,5-dihydroxy-hept-6-enoate Formula: C25H25FNO5- MolecularWeight: 438.468103

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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)C=CC(CC(CC(=O)[O-])O)O

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)/C=C/C(CC(CC(=O)[O-])O)O

InChI

InChI=1S/C25H26FNO5/c1-15(2)27-22(12-11-18(28)13-19(29)14-23(30)31)24(16-7-9-17(26)10-8-16)20-5-3-4-6-21(20)25(27)32/h3-12,15,18-19,28-29H,13-14H2,1-2H3,(H,30,31)/p-1/b12-11+