4-[(3,4-dichlorophenyl)methyl-[4-[(2-methylpropan-2-yl)oxy]-3,4-bis(oxidanylidene)butanoyl]amino]benzoic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl-[4-[(2-methylpropan-2-yl)oxy]-3,4-bis(oxidanylidene)butanoyl]amino]benzoic acid Openeye Name: 4-[(4-tert-butoxy-3,4-dioxo-butanoyl)-[(3,4-dichlorophenyl)methyl]amino]benzoic acid CAS Name: 4-[(3,4-dichlorophenyl)methyl-[4-[(2-methylpropan-2-yl)oxy]-1,3,4-trioxobutyl]amino]benzoic acid IUPAC Name: 4-[(3,4-dichlorophenyl)methyl-[4-[(2-methylpropan-2-yl)oxy]-3,4-dioxobutanoyl]amino]benzoic acid Traditional Name: 4-[(4-tert-butoxy-3,4-diketo-butanoyl)-(3,4-dichlorobenzyl)amino]benzoic acid Formula: C22H21Cl2NO6 MolecularWeight: 466.31124

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C22H21Cl2NO6/c1-22(2,3)31-21(30)18(26)11-19(27)25(12-13-4-9-16(23)17(24)10-13)15-7-5-14(6-8-15)20(28)29/h4-10H,11-12H2,1-3H3,(H,28,29)