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

Systemtic Name: [3,4-bis(fluoranyl)phenyl]methyl 2-(4-methylphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (3,4-difluorophenyl)methyl 1-oxo-2-(p-tolyl)isoquinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-1-oxo-4-isoquinolinecarboxylic acid (3,4-difluorophenyl)methyl ester IUPAC Name: (3,4-difluorophenyl)methyl 2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(p-tolyl)isoquinoline-4-carboxylic acid (3,4-difluorobenzyl) ester Formula: C24H17F2NO3 MolecularWeight: 405.393486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC(=C(C=C4)F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C24H17F2NO3/c1-15-6-9-17(10-7-15)27-13-20(18-4-2-3-5-19(18)23(27)28)24(29)30-14-16-8-11-21(25)22(26)12-16/h2-13H,14H2,1H3