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

Systemtic Name: methyl 4-[[2-[2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(furan-2-carbonylamino)-3-methyl-butanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[[2-furanyl(oxo)methyl]amino]-3-methyl-1-oxobutoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(furan-2-carbonylamino)-3-methylbutanoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-(2-furoylamino)-3-methyl-butanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NCC1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H24N2O7/c1-13(2)18(23-19(25)16-5-4-10-29-16)21(27)30-12-17(24)22-11-14-6-8-15(9-7-14)20(26)28-3/h4-10,13,18H,11-12H2,1-3H3,(H,22,24)(H,23,25)