(4-methoxyphenyl) 4-cyano-4-hexyl-cyclohexane-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 4-cyano-4-hexyl-cyclohexane-1-carboxylate Openeye Name: (4-methoxyphenyl) 4-cyano-4-hexyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-hexyl-1-cyclohexanecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-cyano-4-hexylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-hexyl-cyclohexanecarboxylic acid (4-methoxyphenyl) ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCCCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OC)C#N

InChI

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