4-[(3,4-dichlorophenyl)methyl-[4-(2-methylbutan-2-yloxy)-3,4-bis(oxidanylidene)butanoyl]amino]benzoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl-[4-(2-methylbutan-2-yloxy)-3,4-bis(oxidanylidene)butanoyl]amino]benzoic acid Openeye Name: 4-[(3,4-dichlorophenyl)methyl-[4-(1,1-dimethylpropoxy)-3,4-dioxo-butanoyl]amino]benzoic acid CAS Name: 4-[(3,4-dichlorophenyl)methyl-[4-(2-methylbutan-2-yloxy)-1,3,4-trioxobutyl]amino]benzoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)methyl-[4-(2-methylbutan-2-yloxy)-3,4-dioxobutanoyl]amino]benzoic acid Traditional Name: 4-[(4-tert-amyloxy-3,4-diketo-butanoyl)-(3,4-dichlorobenzyl)amino]benzoic acid Formula: C23H23Cl2NO6 MolecularWeight: 480.33782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=C(C=C1)Cl)Cl)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C23H23Cl2NO6/c1-4-23(2,3)32-22(31)19(27)12-20(28)26(13-14-5-10-17(24)18(25)11-14)16-8-6-15(7-9-16)21(29)30/h5-11H,4,12-13H2,1-3H3,(H,29,30)