[3,5-bis(trifluoromethyl)phenyl]methyl 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C26H17F6NO3 MolecularWeight: 505.408499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H17F6NO3/c1-33-22(21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)23(33)34)24(35)36-14-15-11-17(25(27,28)29)13-18(12-15)26(30,31)32/h2-13H,14H2,1H3