ethyl 2-[2-(2-benzamidoethanoyloxy)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-benzamidoethanoyloxy)ethanoylamino]-4-ethanoyl-5-methyl-furan-3-carboxylate Openeye Name: ethyl 4-acetyl-2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-5-methyl-furan-3-carboxylate CAS Name: 4-acetyl-2-[[2-(2-benzamido-1-oxoethoxy)-1-oxoethyl]amino]-5-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-5-methylfuran-3-carboxylate Traditional Name: 4-acetyl-2-[(2-hippuroyloxyacetyl)amino]-5-methyl-furan-3-carboxylic acid ethyl ester Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O8/c1-4-29-21(28)18-17(12(2)24)13(3)31-20(18)23-15(25)11-30-16(26)10-22-19(27)14-8-6-5-7-9-14/h5-9H,4,10-11H2,1-3H3,(H,22,27)(H,23,25)