butyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: butyl 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: butyl 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid butyl ester Formula: C20H18FNO3 MolecularWeight: 339.360223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FNO3/c1-2-3-12-25-20(24)18-13-22(15-10-8-14(21)9-11-15)19(23)17-7-5-4-6-16(17)18/h4-11,13H,2-3,12H2,1H3