[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 2-benzamidoethanoate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] 2-benzamidoethanoate Openeye Name: [1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-butyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-4-methyl-1-oxopentan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [1-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-butyl] ester Formula: C22H22ClF3N2O4 MolecularWeight: 470.86929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClF3N2O4/c1-13(2)10-18(32-19(29)12-27-20(30)14-6-4-3-5-7-14)21(31)28-17-11-15(22(24,25)26)8-9-16(17)23/h3-9,11,13,18H,10,12H2,1-2H3,(H,27,30)(H,28,31)