[3,4-bis(fluoranyl)phenyl]methyl 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: [3,4-bis(fluoranyl)phenyl]methyl 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (3,4-difluorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid (3,4-difluorophenyl)methyl ester IUPAC Name: (3,4-difluorophenyl)methyl 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxylic acid (3,4-difluorobenzyl) ester Formula: C24H17F2NO4 MolecularWeight: 421.392886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC(=C(C=C4)F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C24H17F2NO4/c1-30-17-6-4-5-16(12-17)27-13-20(18-7-2-3-8-19(18)23(27)28)24(29)31-14-15-9-10-21(25)22(26)11-15/h2-13H,14H2,1H3