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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)C)C

InChI

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