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

Systemtic Name: methyl 2-[[3-(4-methoxyphenoxy)-4,5-bis(oxidanyl)cyclohexen-1-yl]carbonylamino]butanoate Openeye Name: methyl 2-[[4,5-dihydroxy-3-(4-methoxyphenoxy)cyclohexene-1-carbonyl]amino]butanoate CAS Name: 2-[[[4,5-dihydroxy-3-(4-methoxyphenoxy)-1-cyclohexenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[4,5-dihydroxy-3-(4-methoxyphenoxy)cyclohexene-1-carbonyl]amino]butanoate Traditional Name: 2-[[4,5-dihydroxy-3-(4-methoxyphenoxy)cyclohexene-1-carbonyl]amino]butyric acid methyl ester Formula: C19H25NO7 MolecularWeight: 379.4043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C(=O)OC)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25NO7/c1-4-14(19(24)26-3)20-18(23)11-9-15(21)17(22)16(10-11)27-13-7-5-12(25-2)6-8-13/h5-8,10,14-17,21-22H,4,9H2,1-3H3,(H,20,23)