[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl] 2-benzamidoethanoate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl] 2-benzamidoethanoate Openeye Name: [1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-propyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-methyl-propyl] ester Formula: C21H20ClF3N2O4 MolecularWeight: 456.84271

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H20ClF3N2O4/c1-12(2)18(31-17(28)11-26-19(29)13-6-4-3-5-7-13)20(30)27-16-10-14(21(23,24)25)8-9-15(16)22/h3-10,12,18H,11H2,1-2H3,(H,26,29)(H,27,30)