3-[4-[[3,5-bis(oxidanyl)phenyl]carbonylamino]butanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[4-[[3,5-bis(oxidanyl)phenyl]carbonylamino]butanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[4-[(3,5-dihydroxybenzoyl)amino]butanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[4-[[(3,5-dihydroxyphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[4-[(3,5-dihydroxybenzoyl)amino]butanoylamino]-4-methylbenzoic acid Traditional Name: 3-[4-[(3,5-dihydroxybenzoyl)amino]butanoylamino]-4-methyl-benzoic acid Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCCNC(=O)C2=CC(=CC(=C2)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCCNC(=O)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C19H20N2O6/c1-11-4-5-12(19(26)27)9-16(11)21-17(24)3-2-6-20-18(25)13-7-14(22)10-15(23)8-13/h4-5,7-10,22-23H,2-3,6H2,1H3,(H,20,25)(H,21,24)(H,26,27)