(3-cyclopentyloxy-4-methoxy-phenyl) 4-cyano-1-ethyl-cyclohexane-1-carboxylate

Systemtic Name: (3-cyclopentyloxy-4-methoxy-phenyl) 4-cyano-1-ethyl-cyclohexane-1-carboxylate Openeye Name: [3-(cyclopentoxy)-4-methoxy-phenyl] 4-cyano-1-ethyl-cyclohexanecarboxylate CAS Name: 4-cyano-1-ethyl-1-cyclohexanecarboxylic acid (3-cyclopentyloxy-4-methoxyphenyl) ester IUPAC Name: (3-cyclopentyloxy-4-methoxyphenyl) 4-cyano-1-ethylcyclohexane-1-carboxylate Traditional Name: 4-cyano-1-ethyl-cyclohexanecarboxylic acid [3-(cyclopentoxy)-4-methoxy-phenyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C#N)C(=O)OC2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CCC1(CCC(CC1)C#N)C(=O)OC2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C22H29NO4/c1-3-22(12-10-16(15-23)11-13-22)21(24)27-18-8-9-19(25-2)20(14-18)26-17-6-4-5-7-17/h8-9,14,16-17H,3-7,10-13H2,1-2H3