methyl 2,4-bis[[3,4-bis(oxidanyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 2,4-bis[[3,4-bis(oxidanyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2,4-bis[(3,4-dihydroxybenzoyl)amino]butanoate CAS Name: 2,4-bis[[(3,4-dihydroxyphenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2,4-bis[(3,4-dihydroxybenzoyl)amino]butanoate Traditional Name: 2,4-bis(protocatechuoylamino)butyric acid methyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCNC(=O)C1=CC(=C(C=C1)O)O)NC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

COC(=O)C(CCNC(=O)C1=CC(=C(C=C1)O)O)NC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C19H20N2O8/c1-29-19(28)12(21-18(27)11-3-5-14(23)16(25)9-11)6-7-20-17(26)10-2-4-13(22)15(24)8-10/h2-5,8-9,12,22-25H,6-7H2,1H3,(H,20,26)(H,21,27)