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

Systemtic Name: 3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-4-phenylazanyl-butanoic acid Openeye Name: 4-anilino-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxo-butanoic acid CAS Name: 4-anilino-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid IUPAC Name: 4-anilino-3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxobutanoic acid Traditional Name: 4-anilino-3-(3,5-dimethylbenzyl)-4-keto-2-methyl-butyric acid Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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