N-[2-cyano-4-(4-octylphenyl)-1-oxidanyl-butan-2-yl]ethanamide

Systemtic Name: N-[2-cyano-4-(4-octylphenyl)-1-oxidanyl-butan-2-yl]ethanamide Openeye Name: N-[1-cyano-1-(hydroxymethyl)-3-(4-octylphenyl)propyl]acetamide CAS Name: N-[2-cyano-1-hydroxy-4-(4-octylphenyl)butan-2-yl]acetamide IUPAC Name: N-[2-cyano-1-hydroxy-4-(4-octylphenyl)butan-2-yl]acetamide Traditional Name: N-[1-cyano-1-methylol-3-(4-octylphenyl)propyl]acetamide Formula: C21H32N2O2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(C#N)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(C#N)NC(=O)C

InChI

InChI=1S/C21H32N2O2/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-22,17-24)23-18(2)25/h10-13,24H,3-9,14-15,17H2,1-2H3,(H,23,25)