2-[(4-tert-butylphenyl)carbonylamino]-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylamino]-5-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]benzoic acid Openeye Name: 2-[(4-tert-butylbenzoyl)amino]-5-[(4-hydroxy-4-oxo-butanoyl)amino]benzoic acid CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-5-[(4-hydroxy-1,4-dioxobutyl)amino]benzoic acid IUPAC Name: 2-[(4-tert-butylbenzoyl)amino]-5-[(4-hydroxy-4-oxobutanoyl)amino]benzoic acid Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-5-[(4-hydroxy-4-keto-butanoyl)amino]benzoic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O6/c1-22(2,3)14-6-4-13(5-7-14)20(28)24-17-9-8-15(12-16(17)21(29)30)23-18(25)10-11-19(26)27/h4-9,12H,10-11H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)(H,29,30)