(4-cyano-4-pentyl-cyclohexyl) 4-propylbenzoate

Systemtic Name: (4-cyano-4-pentyl-cyclohexyl) 4-propylbenzoate Openeye Name: (4-cyano-4-pentyl-cyclohexyl) 4-propylbenzoate CAS Name: 4-propylbenzoic acid (4-cyano-4-pentylcyclohexyl) ester IUPAC Name: (4-cyano-4-pentylcyclohexyl) 4-propylbenzoate Traditional Name: 4-propylbenzoic acid (4-amyl-4-cyano-cyclohexyl) ester Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2/c1-3-5-6-14-22(17-23)15-12-20(13-16-22)25-21(24)19-10-8-18(7-4-2)9-11-19/h8-11,20H,3-7,12-16H2,1-2H3