[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-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)C(C)OC(=O)C(C)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

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