(3-cyanophenyl)methyl 2,4,6-trimethylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 2,4,6-trimethylbenzoate Openeye Name: (3-cyanophenyl)methyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid (3-cyanobenzyl) ester Formula: C18H17NO2 MolecularWeight: 279.33308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C18H17NO2/c1-12-7-13(2)17(14(3)8-12)18(20)21-11-16-6-4-5-15(9-16)10-19/h4-9H,11H2,1-3H3