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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-propylpyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-propyl-2-pyridyl)benzoate CAS Name: 4-(5-propyl-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-propylpyridin-2-yl)benzoate Traditional Name: 4-(5-propyl-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C29H38N2O2 MolecularWeight: 446.62422

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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)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O2/c1-3-5-6-7-8-18-29(22-30)19-16-26(17-20-29)33-28(32)25-13-11-24(12-14-25)27-15-10-23(9-4-2)21-31-27/h10-15,21,26H,3-9,16-20H2,1-2H3