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

Systemtic Name: 3-(4-fluorophenyl)-3,5-bis(oxidanyl)-2-(1-oxidanylidene-2-propyl-isoquinolin-4-yl)hept-6-enoic acid Openeye Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-oxo-2-propyl-4-isoquinolyl)hept-6-enoic acid CAS Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-oxo-2-propyl-4-isoquinolinyl)-6-heptenoic acid IUPAC Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-oxo-2-propylisoquinolin-4-yl)hept-6-enoic acid Traditional Name: 3-(4-fluorophenyl)-3,5-dihydroxy-2-(1-keto-2-propyl-4-isoquinolyl)hept-6-enoic acid Formula: C25H26FNO5 MolecularWeight: 439.476043

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C2C1=O)C(C(=O)O)C(CC(C=C)O)(C3=CC=C(C=C3)F)O

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C2C1=O)C(C(=O)O)C(CC(C=C)O)(C3=CC=C(C=C3)F)O

InChI

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