(4-propylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-propylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-propylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-propylcyclohexyl) ester IUPAC Name: (4-propylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-propylcyclohexyl) ester Formula: C27H38N2O2 MolecularWeight: 422.60282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O2/c1-3-5-6-7-8-10-22-19-28-26(29-20-22)23-13-15-24(16-14-23)27(30)31-25-17-11-21(9-4-2)12-18-25/h13-16,19-21,25H,3-12,17-18H2,1-2H3