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

Systemtic Name: (4-methoxyphenyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-methoxyphenyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-methoxyphenyl) ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-3-4-5-6-7-14-22(17-23)15-12-18(13-16-22)21(24)26-20-10-8-19(25-2)9-11-20/h8-11,18H,3-7,12-16H2,1-2H3