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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 4-(5-propyl-2-pyrimidinyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-propylpyrimidin-2-yl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C28H37N3O2 MolecularWeight: 447.61228

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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)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O2/c1-3-5-6-7-8-16-28(21-29)17-14-25(15-18-28)33-27(32)24-12-10-23(11-13-24)26-30-19-22(9-4-2)20-31-26/h10-13,19-20,25H,3-9,14-18H2,1-2H3