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

Systemtic Name: ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-1,3-bis(oxidanylidene)-4-(phenylcarbonyloxy)isoquinoline-4-carboxylate Openeye Name: ethyl 4-benzoyloxy-2-[3,5-bis(trifluoromethyl)phenyl]-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-benzoyloxy-2-[3,5-bis(trifluoromethyl)phenyl]-1,3-dioxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzoyloxy-2-[3,5-bis(trifluoromethyl)phenyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-benzoyloxy-2-[3,5-bis(trifluoromethyl)phenyl]-1,3-diketo-isoquinoline-4-carboxylic acid ethyl ester Formula: C27H17F6NO6 MolecularWeight: 565.417399

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H17F6NO6/c1-2-39-24(38)25(40-22(36)15-8-4-3-5-9-15)20-11-7-6-10-19(20)21(35)34(23(25)37)18-13-16(26(28,29)30)12-17(14-18)27(31,32)33/h3-14H,2H2,1H3