(3,4-dimethoxyphenyl) 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (3,4-dimethoxyphenyl) 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (3,4-dimethoxyphenyl) 2-(3-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid (3,4-dimethoxyphenyl) ester IUPAC Name: (3,4-dimethoxyphenyl) 2-(3-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(3-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid (3,4-dimethoxyphenyl) ester Formula: C24H18FNO5 MolecularWeight: 419.401823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)F)OC

InChI

InChI=1S/C24H18FNO5/c1-29-21-11-10-17(13-22(21)30-2)31-24(28)20-14-26(16-7-5-6-15(25)12-16)23(27)19-9-4-3-8-18(19)20/h3-14H,1-2H3