(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-cyanobenzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4-cyanobenzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C20H19NO3/c1-12-9-13(2)19(15(4)22)14(3)18(12)11-24-20(23)17-7-5-16(10-21)6-8-17/h5-9H,11H2,1-4H3