3-(4-fluorophenyl)-3-oxidanyl-2-(1-oxidanylidene-2H-isoquinolin-4-yl)-2-propyl-pent-4-enoic acid

Systemtic Name: 3-(4-fluorophenyl)-3-oxidanyl-2-(1-oxidanylidene-2H-isoquinolin-4-yl)-2-propyl-pent-4-enoic acid Openeye Name: 3-(4-fluorophenyl)-3-hydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propyl-pent-4-enoic acid CAS Name: 3-(4-fluorophenyl)-3-hydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propyl-4-pentenoic acid IUPAC Name: 3-(4-fluorophenyl)-3-hydroxy-2-(1-oxo-2H-isoquinolin-4-yl)-2-propylpent-4-enoic acid Traditional Name: 3-(4-fluorophenyl)-3-hydroxy-2-(1-keto-2H-isoquinolin-4-yl)-2-propyl-pent-4-enoic acid Formula: C23H22FNO4 MolecularWeight: 395.423483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FNO4/c1-3-13-22(21(27)28,23(29,4-2)15-9-11-16(24)12-10-15)19-14-25-20(26)18-8-6-5-7-17(18)19/h4-12,14,29H,2-3,13H2,1H3,(H,25,26)(H,27,28)