[4-(5-octylpyrimidin-2-yl)phenyl] (1R,2R)-2-hexylcyclopropane-1-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] (1R,2R)-2-hexylcyclopropane-1-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] (1R,2R)-2-hexylcyclopropanecarboxylate CAS Name: (1R,2R)-2-hexyl-1-cyclopropanecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] (1R,2R)-2-hexylcyclopropane-1-carboxylate Traditional Name: (1R,2R)-2-hexylcyclopropanecarboxylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C28H40N2O2 MolecularWeight: 436.6294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CC3CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)[C@@H]3C[C@H]3CCCCCC

InChI

InChI=1S/C28H40N2O2/c1-3-5-7-9-10-11-13-22-20-29-27(30-21-22)23-15-17-25(18-16-23)32-28(31)26-19-24(26)14-12-8-6-4-2/h15-18,20-21,24,26H,3-14,19H2,1-2H3/t24-,26-/m1/s1