(4-ethoxyphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate

Systemtic Name: (4-ethoxyphenyl) 4-butyl-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-ethoxyphenyl) 4-butyl-4-cyano-cyclohexanecarboxylate CAS Name: 4-butyl-4-cyano-1-cyclohexanecarboxylic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 4-butyl-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-butyl-4-cyano-cyclohexanecarboxylic acid p-phenetyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)C(=O)OC2=CC=C(C=C2)OCC)C#N

InChI

InChI=1S/C20H27NO3/c1-3-5-12-20(15-21)13-10-16(11-14-20)19(22)24-18-8-6-17(7-9-18)23-4-2/h6-9,16H,3-5,10-14H2,1-2H3