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

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)-4-methyl-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-(furan-2-carbonylamino)-4-methyl-benzoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]-4-methylbenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate Traditional Name: 3-(2-furoylamino)-4-methyl-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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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)NC(=O)C2=CC=CO2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H25N3O6/c1-13(2)8-9-22-21(28)24-18(25)12-30-20(27)15-7-6-14(3)16(11-15)23-19(26)17-5-4-10-29-17/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,23,26)(H2,22,24,25,28)