methyl 4-[2-[2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(furan-2-carbonylamino)-3-methyl-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[[2-furanyl(oxo)methyl]amino]-3-methyl-1-oxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(furan-2-carbonylamino)-3-methylbutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-(2-furoylamino)-3-methyl-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C20H22N2O7/c1-12(2)17(22-18(24)15-5-4-10-28-15)20(26)29-11-16(23)21-14-8-6-13(7-9-14)19(25)27-3/h4-10,12,17H,11H2,1-3H3,(H,21,23)(H,22,24)