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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-heptoxypyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-heptoxy-2-pyridyl)benzoate CAS Name: 4-(5-heptoxy-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-heptoxypyridin-2-yl)benzoate Traditional Name: 4-(5-heptoxy-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C33H46N2O3 MolecularWeight: 518.72994

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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)OCCCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H46N2O3/c1-3-5-7-9-11-21-33(26-34)22-19-29(20-23-33)38-32(36)28-15-13-27(14-16-28)31-18-17-30(25-35-31)37-24-12-10-8-6-4-2/h13-18,25,29H,3-12,19-24H2,1-2H3