methyl 2,6-bis[[3,4-bis(oxidanyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 2,6-bis[[3,4-bis(oxidanyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl 2,6-bis[(3,4-dihydroxybenzoyl)amino]hexanoate CAS Name: 2,6-bis[[(3,4-dihydroxyphenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2,6-bis[(3,4-dihydroxybenzoyl)amino]hexanoate Traditional Name: 2,6-bis(protocatechuoylamino)hexanoic acid methyl ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8/c1-31-21(30)14(23-20(29)13-6-8-16(25)18(27)11-13)4-2-3-9-22-19(28)12-5-7-15(24)17(26)10-12/h5-8,10-11,14,24-27H,2-4,9H2,1H3,(H,22,28)(H,23,29)