ethyl 4-(2-cyano-2-methyl-pentoxy)benzoate

Systemtic Name: ethyl 4-(2-cyano-2-methyl-pentoxy)benzoate Openeye Name: ethyl 4-(2-cyano-2-methyl-pentoxy)benzoate CAS Name: 4-(2-cyano-2-methylpentoxy)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-cyano-2-methylpentoxy)benzoate Traditional Name: 4-(2-cyano-2-methyl-pentoxy)benzoic acid ethyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(COC1=CC=C(C=C1)C(=O)OCC)C#N

Isomeric SMILES

CCCC(C)(COC1=CC=C(C=C1)C(=O)OCC)C#N

InChI

InChI=1S/C16H21NO3/c1-4-10-16(3,11-17)12-20-14-8-6-13(7-9-14)15(18)19-5-2/h6-9H,4-5,10,12H2,1-3H3