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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-(propanoylamino)benzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-methyl-3-(propanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopropylamino)benzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-methyl-3-(propanoylamino)benzoate Traditional Name: 4-methyl-3-propionamido-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:

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C21H23NO4/c1-5-20(24)22-18-11-17(9-7-14(18)3)21(25)26-12-19(23)16-8-6-13(2)15(4)10-16/h6-11H,5,12H2,1-4H3,(H,22,24)