methyl 4-[3-[3,4,5-tris(oxidanyl)phenyl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[3,4,5-tris(oxidanyl)phenyl]propanoylamino]benzoate Openeye Name: methyl 4-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(3,4,5-trihydroxyphenyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoate Traditional Name: 4-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid methyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C17H17NO6/c1-24-17(23)11-3-5-12(6-4-11)18-15(21)7-2-10-8-13(19)16(22)14(20)9-10/h3-6,8-9,19-20,22H,2,7H2,1H3,(H,18,21)