2-(hydroxymethyl)-N1-octadecyl-benzene-1,4-dicarboxamide

Systemtic Name: 2-(hydroxymethyl)-N1-octadecyl-benzene-1,4-dicarboxamide Openeye Name: 2-(hydroxymethyl)-N1-octadecyl-terephthalamide CAS Name: 2-(hydroxymethyl)-N1-octadecylbenzene-1,4-dicarboxamide IUPAC Name: 2-(hydroxymethyl)-1-N-octadecylbenzene-1,4-dicarboxamide Traditional Name: 2-methylol-N-stearyl-terephthalamide Formula: C27H46N2O3 MolecularWeight: 446.66574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-27(32)25-19-18-23(26(28)31)21-24(25)22-30/h18-19,21,30H,2-17,20,22H2,1H3,(H2,28,31)(H,29,32)