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

Systemtic Name: (4-propylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-propylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-propylcyclohexyl) ester IUPAC Name: (4-propylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid (4-propylcyclohexyl) ester Formula: C25H34N2O2 MolecularWeight: 394.54966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3CCC(CC3)CCC

InChI

InChI=1S/C25H34N2O2/c1-3-5-6-8-20-17-26-24(27-18-20)21-11-13-22(14-12-21)25(28)29-23-15-9-19(7-4-2)10-16-23/h11-14,17-19,23H,3-10,15-16H2,1-2H3