4-[[4-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxycarbonylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]oxycarbonylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[1-methyl-2-(4-methylanilino)-2-oxo-ethoxy]carbonylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[1-(4-methylanilino)-1-oxopropan-2-yl]oxy-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[1-(4-methylanilino)-1-oxopropan-2-yl]oxycarbonylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[2-keto-1-methyl-2-(p-toluidino)ethoxy]carbonylanilino]butyric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C21H22N2O6/c1-13-3-7-17(8-4-13)23-20(27)14(2)29-21(28)15-5-9-16(10-6-15)22-18(24)11-12-19(25)26/h3-10,14H,11-12H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)