3-(4-fluorophenyl)-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2H-isoquinolin-4-yl)-2-propyl-hept-6-enoate

Systemtic Name: 3-(4-fluorophenyl)-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2H-isoquinolin-4-yl)-2-propyl-hept-6-enoate Openeye Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propyl-hept-6-enoate CAS Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propyl-6-heptenoate IUPAC Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propylhept-6-enoate Traditional Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-keto-2H-isoquinolin-4-yl)-2-propyl-hept-6-enoate Formula: C25H25FNO5- MolecularWeight: 438.468103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CNC(=O)C2=CC=CC=C21)(C(=O)[O-])C(CC(C=C)O)(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCC(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/C25H26FNO5/c1-3-13-24(23(30)31,21-15-27-22(29)20-8-6-5-7-19(20)21)25(32,14-18(28)4-2)16-9-11-17(26)12-10-16/h4-12,15,18,28,32H,2-3,13-14H2,1H3,(H,27,29)(H,30,31)/p-1