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

Systemtic Name: hexyl 1,3-bis(oxidanylidene)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-4-carboxylate Openeye Name: hexyl 1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-4-carboxylate CAS Name: 1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-4-carboxylic acid hexyl ester IUPAC Name: hexyl 1,3-dioxo-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-4-carboxylate Traditional Name: 1,3-diketo-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-4-carboxylic acid hexyl ester Formula: C23H22F3NO4 MolecularWeight: 433.42029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCCOC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3NO4/c1-2-3-4-7-13-31-22(30)19-17-11-5-6-12-18(17)20(28)27(21(19)29)16-10-8-9-15(14-16)23(24,25)26/h5-6,8-12,14,19H,2-4,7,13H2,1H3