(4-propoxyphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: (4-propoxyphenyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-propoxyphenyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-propoxyphenyl) ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC)C#N

InChI

InChI=1S/C22H31NO3/c1-3-5-6-13-22(17-23)14-11-18(12-15-22)21(24)26-20-9-7-19(8-10-20)25-16-4-2/h7-10,18H,3-6,11-16H2,1-2H3