(4-cyano-4-heptyl-cyclohexyl) 4-(5-hexoxypyridin-2-yl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-hexoxypyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-hexoxy-2-pyridyl)benzoate CAS Name: 4-(5-hexoxy-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-hexoxypyridin-2-yl)benzoate Traditional Name: 4-(5-hexoxy-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C32H44N2O3 MolecularWeight: 504.70336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)OCCCCCC)C#N

InChI

InChI=1S/C32H44N2O3/c1-3-5-7-9-10-20-32(25-33)21-18-28(19-22-32)37-31(35)27-14-12-26(13-15-27)30-17-16-29(24-34-30)36-23-11-8-6-4-2/h12-17,24,28H,3-11,18-23H2,1-2H3