[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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