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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-butylpyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-butyl-2-pyridyl)benzoate CAS Name: 4-(5-butyl-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-butylpyridin-2-yl)benzoate Traditional Name: 4-(5-butyl-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C30H40N2O2 MolecularWeight: 460.6508

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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)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O2/c1-3-5-7-8-9-19-30(23-31)20-17-27(18-21-30)34-29(33)26-14-12-25(13-15-26)28-16-11-24(22-32-28)10-6-4-2/h11-16,22,27H,3-10,17-21H2,1-2H3