[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

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