[4-cyano-4-(3-methoxyphenyl)cyclohexyl] ethanoate

Systemtic Name: [4-cyano-4-(3-methoxyphenyl)cyclohexyl] ethanoate Openeye Name: [4-cyano-4-(3-methoxyphenyl)cyclohexyl] acetate CAS Name: acetic acid [4-cyano-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [4-cyano-4-(3-methoxyphenyl)cyclohexyl] acetate Traditional Name: acetic acid [4-cyano-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)(C#N)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(=O)OC1CCC(CC1)(C#N)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H19NO3/c1-12(18)20-14-6-8-16(11-17,9-7-14)13-4-3-5-15(10-13)19-2/h3-5,10,14H,6-9H2,1-2H3