2-methyl-3-[3-[3,4,5-tris(oxidanyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-methyl-3-[3-[3,4,5-tris(oxidanyl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-methyl-3-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid CAS Name: 2-methyl-3-[[1-oxo-3-(3,4,5-trihydroxyphenyl)propyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid Traditional Name: 2-methyl-3-[3-(3,4,5-trihydroxyphenyl)propanoylamino]benzoic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCC2=CC(=C(C(=C2)O)O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCC2=CC(=C(C(=C2)O)O)O)C(=O)O

InChI

InChI=1S/C17H17NO6/c1-9-11(17(23)24)3-2-4-12(9)18-15(21)6-5-10-7-13(19)16(22)14(20)8-10/h2-4,7-8,19-20,22H,5-6H2,1H3,(H,18,21)(H,23,24)