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

Systemtic Name: 4-[(2,6-dimethoxyphenyl)amino]-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,6-dimethoxyanilino)-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: 4-(2,6-dimethoxyanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2,6-dimethoxyanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2,6-dimethoxyanilino)-4-keto-3-(4-methylbenzyl)butyric acid Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5/c1-13-7-9-14(10-8-13)11-15(12-18(22)23)20(24)21-19-16(25-2)5-4-6-17(19)26-3/h4-10,15H,11-12H2,1-3H3,(H,21,24)(H,22,23)