(4-heptylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate

Systemtic Name: (4-heptylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Openeye Name: (4-heptylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)benzoic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-(5-butylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)benzoic acid (4-heptylcyclohexyl) ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCC

InChI

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