[4-(5-octylpyridin-2-yl)phenyl] (2S)-2-methylbutanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] (2S)-2-methylbutanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] (2S)-2-methylbutanoate CAS Name: (2S)-2-methylbutanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] (2S)-2-methylbutanoate Traditional Name: (2S)-2-methylbutyric acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO2/c1-4-6-7-8-9-10-11-20-12-17-23(25-18-20)21-13-15-22(16-14-21)27-24(26)19(3)5-2/h12-19H,4-11H2,1-3H3/t19-/m0/s1