methyl 4-[2-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2-furylmethylamino)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-furanylmethylamino)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(furan-2-ylmethylamino)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-furfurylamino)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C19H20N2O7/c1-26-19(25)13-4-6-14(7-5-13)21-17(23)12-28-18(24)9-8-16(22)20-11-15-3-2-10-27-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,22)(H,21,23)