5-(5-methyl-2-oxidanyl-phenyl)carbonyl-1-octyl-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 5-(5-methyl-2-oxidanyl-phenyl)carbonyl-1-octyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-(2-hydroxy-5-methyl-benzoyl)-1-octyl-2-oxo-pyridine-3-carbonitrile CAS Name: 5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-octyl-2-oxo-3-pyridinecarbonitrile IUPAC Name: 5-(2-hydroxy-5-methylbenzoyl)-1-octyl-2-oxopyridine-3-carbonitrile Traditional Name: 5-(2-hydroxy-5-methyl-benzoyl)-2-keto-1-octyl-nicotinonitrile Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)C)O

Isomeric SMILES

CCCCCCCCN1C=C(C=C(C1=O)C#N)C(=O)C2=C(C=CC(=C2)C)O

InChI

InChI=1S/C22H26N2O3/c1-3-4-5-6-7-8-11-24-15-18(13-17(14-23)22(24)27)21(26)19-12-16(2)9-10-20(19)25/h9-10,12-13,15,25H,3-8,11H2,1-2H3