methyl 4-[[3-(furan-2-ylcarbonylamino)-4,5-bis(oxidanyl)cyclohexen-1-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[3-(furan-2-ylcarbonylamino)-4,5-bis(oxidanyl)cyclohexen-1-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(furan-2-carbonylamino)-4,5-dihydroxy-cyclohexene-1-carbonyl]amino]butanoate CAS Name: 4-[[[3-[[2-furanyl(oxo)methyl]amino]-4,5-dihydroxy-1-cyclohexenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(furan-2-carbonylamino)-4,5-dihydroxycyclohexene-1-carbonyl]amino]butanoate Traditional Name: 4-[[3-(2-furoylamino)-4,5-dihydroxy-cyclohexene-1-carbonyl]amino]butyric acid methyl ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(C(C(C1)O)O)NC(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(C(C(C1)O)O)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H22N2O7/c1-25-14(21)5-2-6-18-16(23)10-8-11(15(22)12(20)9-10)19-17(24)13-4-3-7-26-13/h3-4,7-8,11-12,15,20,22H,2,5-6,9H2,1H3,(H,18,23)(H,19,24)