[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)C

InChI

InChI=1S/C21H23NO4/c1-13(2)20(24)22-18-9-7-16(8-10-18)21(25)26-12-19(23)17-6-5-14(3)15(4)11-17/h5-11,13H,12H2,1-4H3,(H,22,24)