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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-butoxypyridin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-butoxy-2-pyridyl)benzoate CAS Name: 4-(5-butoxy-2-pyridinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-butoxypyridin-2-yl)benzoate Traditional Name: 4-(5-butoxy-2-pyridyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C30H40N2O3 MolecularWeight: 476.6502

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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)OCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H40N2O3/c1-3-5-7-8-9-18-30(23-31)19-16-26(17-20-30)35-29(33)25-12-10-24(11-13-25)28-15-14-27(22-32-28)34-21-6-4-2/h10-15,22,26H,3-9,16-21H2,1-2H3