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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-14-9-10-18(11-15(14)2)19(23)13-26-20(24)12-16(3)22-21(25)17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,22,25)