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

Systemtic Name: (4-propoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-propoxyphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-propoxyphenyl) ester Formula: C24H35NO3 MolecularWeight: 385.5396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCCC)C#N

InChI

InChI=1S/C24H35NO3/c1-3-5-6-7-8-15-24(19-25)16-13-20(14-17-24)23(26)28-22-11-9-21(10-12-22)27-18-4-2/h9-12,20H,3-8,13-18H2,1-2H3