[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18F6N2O4 MolecularWeight: 428.326239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H18F6N2O4/c1-9(2)3-4-24-15(28)25-13(26)8-29-14(27)10-5-11(16(18,19)20)7-12(6-10)17(21,22)23/h5-7,9H,3-4,8H2,1-2H3,(H2,24,25,26,28)