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

Systemtic Name: (4-butylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-butylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-butylcyclohexyl) ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-8-9-11-23-20-29-27(30-21-23)24-14-16-25(17-15-24)28(31)32-26-18-12-22(13-19-26)10-6-4-2/h14-17,20-22,26H,3-13,18-19H2,1-2H3