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

Systemtic Name: methyl 3-[4-[3,4,5-tris(oxidanyl)phenyl]butanoylamino]benzoate Openeye Name: methyl 3-[4-(3,4,5-trihydroxyphenyl)butanoylamino]benzoate CAS Name: 3-[[1-oxo-4-(3,4,5-trihydroxyphenyl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3,4,5-trihydroxyphenyl)butanoylamino]benzoate Traditional Name: 3-[4-(3,4,5-trihydroxyphenyl)butanoylamino]benzoic acid methyl ester Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCCC2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCCC2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C18H19NO6/c1-25-18(24)12-5-3-6-13(10-12)19-16(22)7-2-4-11-8-14(20)17(23)15(21)9-11/h3,5-6,8-10,20-21,23H,2,4,7H2,1H3,(H,19,22)