3-(4-fluorophenyl)-2-methyl-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2H-isoquinolin-4-yl)hept-6-enoic acid

Systemtic Name: 3-(4-fluorophenyl)-2-methyl-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2H-isoquinolin-4-yl)hept-6-enoic acid Openeye Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-methyl-2-(1-oxo-2H-isoquinolin-4-yl)hept-6-enoic acid CAS Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-methyl-2-(1-oxo-2H-isoquinolin-4-yl)-6-heptenoic acid IUPAC Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-methyl-2-(1-oxo-2H-isoquinolin-4-yl)hept-6-enoic acid Traditional Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-keto-2H-isoquinolin-4-yl)-2-methyl-hept-6-enoic acid Formula: C23H22FNO5 MolecularWeight: 411.422883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC(=O)C2=CC=CC=C21)(C(=O)O)C(CC(C=C)O)(C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C1=CNC(=O)C2=CC=CC=C21)(C(=O)O)C(CC(C=C)O)(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C23H22FNO5/c1-3-16(26)12-23(30,14-8-10-15(24)11-9-14)22(2,21(28)29)19-13-25-20(27)18-7-5-4-6-17(18)19/h3-11,13,16,26,30H,1,12H2,2H3,(H,25,27)(H,28,29)