4,5-dimethyl-5-octadecoxy-2-oxidanylidene-1H-pyrrole-3-carbonitrile

Systemtic Name: 4,5-dimethyl-5-octadecoxy-2-oxidanylidene-1H-pyrrole-3-carbonitrile Openeye Name: 4,5-dimethyl-5-octadecoxy-2-oxo-1H-pyrrole-3-carbonitrile CAS Name: 4,5-dimethyl-5-octadecoxy-2-oxo-1H-pyrrole-3-carbonitrile IUPAC Name: 4,5-dimethyl-5-octadecoxy-2-oxo-1H-pyrrole-3-carbonitrile Traditional Name: 2-keto-4,5-dimethyl-5-stearyloxy-3-pyrroline-3-carbonitrile Formula: C25H44N2O2 MolecularWeight: 404.62906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1(C(=C(C(=O)N1)C#N)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1(C(=C(C(=O)N1)C#N)C)C

InChI

InChI=1S/C25H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-25(3)22(2)23(21-26)24(28)27-25/h4-20H2,1-3H3,(H,27,28)