5-cyano-2-(hydroxymethyl)-N-octadecyl-benzamide

Systemtic Name: 5-cyano-2-(hydroxymethyl)-N-octadecyl-benzamide Openeye Name: 5-cyano-2-(hydroxymethyl)-N-octadecyl-benzamide CAS Name: 5-cyano-2-(hydroxymethyl)-N-octadecylbenzamide IUPAC Name: 5-cyano-2-(hydroxymethyl)-N-octadecylbenzamide Traditional Name: 5-cyano-2-methylol-N-stearyl-benzamide Formula: C27H44N2O2 MolecularWeight: 428.65046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)C#N)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C(C=CC(=C1)C#N)CO

InChI

InChI=1S/C27H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27(31)26-21-24(22-28)18-19-25(26)23-30/h18-19,21,30H,2-17,20,23H2,1H3,(H,29,31)