(2-benzamido-2-oxidanylidene-ethyl) 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid (2-benzamido-2-keto-ethyl) ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H21NO5/c1-14-8-9-17(12-15(14)2)18(23)10-11-20(25)27-13-19(24)22-21(26)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,24,26)