(4-cyanocyclohexyl) 4-octoxybenzoate

Systemtic Name: (4-cyanocyclohexyl) 4-octoxybenzoate Openeye Name: (4-cyanocyclohexyl) 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid (4-cyanocyclohexyl) ester IUPAC Name: (4-cyanocyclohexyl) 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid (4-cyanocyclohexyl) ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C#N

InChI

InChI=1S/C22H31NO3/c1-2-3-4-5-6-7-16-25-20-14-10-19(11-15-20)22(24)26-21-12-8-18(17-23)9-13-21/h10-11,14-15,18,21H,2-9,12-13,16H2,1H3