[4-(5-octylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate CAS Name: (6S)-6-methyloctanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] (6S)-6-methyloctanoate Traditional Name: (6S)-6-methylcaprylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-9-10-14-23-20-28-27(29-21-23)24-16-18-25(19-17-24)31-26(30)15-12-11-13-22(3)5-2/h16-22H,4-15H2,1-3H3/t22-/m0/s1