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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C32H45N3O2 MolecularWeight: 503.7186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N

InChI

InChI=1S/C32H45N3O2/c1-3-5-7-9-11-13-26-23-34-30(35-24-26)27-14-16-28(17-15-27)31(36)37-29-18-21-32(25-33,22-19-29)20-12-10-8-6-4-2/h14-17,23-24,29H,3-13,18-22H2,1-2H3