4-[(2,6-dimethoxyphenyl)amino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,6-dimethoxyphenyl)amino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,6-dimethoxyanilino)-2-methyl-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: 4-(2,6-dimethoxyanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2,6-dimethoxyanilino)-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2,6-dimethoxyanilino)-4-keto-2-methyl-3-(4-methylbenzyl)butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(C)C(=O)O)C(=O)NC2=C(C=CC=C2OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(C)C(=O)O)C(=O)NC2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H25NO5/c1-13-8-10-15(11-9-13)12-16(14(2)21(24)25)20(23)22-19-17(26-3)6-5-7-18(19)27-4/h5-11,14,16H,12H2,1-4H3,(H,22,23)(H,24,25)