[3-(trifluoromethyl)phenyl] 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl] 2-(3-methoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl] 2-(3-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-methoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-(3-methoxyphenyl)isoquinoline-4-carboxylic acid [3-(trifluoromethyl)phenyl] ester Formula: C24H16F3NO4 MolecularWeight: 439.38335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H16F3NO4/c1-31-17-8-5-7-16(13-17)28-14-21(19-10-2-3-11-20(19)22(28)29)23(30)32-18-9-4-6-15(12-18)24(25,26)27/h2-14H,1H3