(4-cyano-4-heptyl-cyclohexyl) 4-oxidanylbenzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-oxidanylbenzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)O)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)O)C#N

InChI

InChI=1S/C21H29NO3/c1-2-3-4-5-6-13-21(16-22)14-11-19(12-15-21)25-20(24)17-7-9-18(23)10-8-17/h7-10,19,23H,2-6,11-15H2,1H3