(5-methyl-2-propan-2-yl-phenyl) 4-cyanobenzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-cyanobenzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-isopropyl-5-methyl-phenyl) 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)C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

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