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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C30H41N3O2 MolecularWeight: 475.66544

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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)CCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O2/c1-3-5-7-8-10-18-30(23-31)19-16-27(17-20-30)35-29(34)26-14-12-25(13-15-26)28-32-21-24(22-33-28)11-9-6-4-2/h12-15,21-22,27H,3-11,16-20H2,1-2H3