3-(1-methyl-5-octadecoxy-4-oxidanylidene-pyridin-2-yl)propanenitrile

Systemtic Name: 3-(1-methyl-5-octadecoxy-4-oxidanylidene-pyridin-2-yl)propanenitrile Openeye Name: 3-(1-methyl-5-octadecoxy-4-oxo-2-pyridyl)propanenitrile CAS Name: 3-(1-methyl-5-octadecoxy-4-oxo-2-pyridinyl)propanenitrile IUPAC Name: 3-(1-methyl-5-octadecoxy-4-oxopyridin-2-yl)propanenitrile Traditional Name: 3-(4-keto-1-methyl-5-stearyloxy-2-pyridyl)propionitrile Formula: C27H46N2O2 MolecularWeight: 430.66634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCC#N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCC#N)C

InChI

InChI=1S/C27H46N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-27-24-29(2)25(20-19-21-28)23-26(27)30/h23-24H,3-20,22H2,1-2H3