[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H21FN2O4 MolecularWeight: 324.347343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C)F

InChI

InChI=1S/C16H21FN2O4/c1-10(2)6-7-18-16(22)19-14(20)9-23-15(21)12-5-4-11(3)13(17)8-12/h4-5,8,10H,6-7,9H2,1-3H3,(H2,18,19,20,22)