[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 2-azanyl-4-(trifluoromethyl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 2-amino-4-(trifluoromethyl)benzoate CAS Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-amino-4-(trifluoromethyl)benzoate Traditional Name: 2-amino-4-(trifluoromethyl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H20F3N3O4 MolecularWeight: 375.34291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20F3N3O4/c1-9(2)5-6-21-15(25)22-13(23)8-26-14(24)11-4-3-10(7-12(11)20)16(17,18)19/h3-4,7,9H,5-6,8,20H2,1-2H3,(H2,21,22,23,25)