4-[(2,5-dimethylphenyl)amino]-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,5-dimethylphenyl)amino]-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,5-dimethylanilino)-4-oxo-3-(p-tolylmethyl)butanoic acid CAS Name: 4-(2,5-dimethylanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2,5-dimethylanilino)-3-[(4-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2,5-dimethylanilino)-4-keto-3-(4-methylbenzyl)butyric acid Formula: C20H23NO3 MolecularWeight: 325.40152

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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(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H23NO3/c1-13-5-8-16(9-6-13)11-17(12-19(22)23)20(24)21-18-10-14(2)4-7-15(18)3/h4-10,17H,11-12H2,1-3H3,(H,21,24)(H,22,23)