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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-butoxypyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-butoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-butoxy-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-butoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-butoxypyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCC)C#N

InChI

InChI=1S/C29H39N3O3/c1-3-5-7-8-9-16-29(22-30)17-14-25(15-18-29)35-28(33)24-12-10-23(11-13-24)27-31-20-26(21-32-27)34-19-6-4-2/h10-13,20-21,25H,3-9,14-19H2,1-2H3