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

Systemtic Name: (4-butylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-butylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid (4-butylcyclohexyl) ester Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O2/c1-3-5-7-9-21-18-27-25(28-19-21)22-12-14-23(15-13-22)26(29)30-24-16-10-20(11-17-24)8-6-4-2/h12-15,18-20,24H,3-11,16-17H2,1-2H3