2-(bromomethyl)-5-octadecoxy-3-(phenylmethyl)-1H-pyridin-4-one

Systemtic Name: 2-(bromomethyl)-5-octadecoxy-3-(phenylmethyl)-1H-pyridin-4-one Openeye Name: 3-benzyl-2-(bromomethyl)-5-octadecoxy-1H-pyridin-4-one CAS Name: 2-(bromomethyl)-5-octadecoxy-3-(phenylmethyl)-1H-pyridin-4-one IUPAC Name: 3-benzyl-2-(bromomethyl)-5-octadecoxy-1H-pyridin-4-one Traditional Name: 3-benzyl-2-(bromomethyl)-5-stearyloxy-4-pyridone Formula: C31H48BrNO2 MolecularWeight: 546.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CNC(=C(C1=O)CC2=CC=CC=C2)CBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CNC(=C(C1=O)CC2=CC=CC=C2)CBr

InChI

InChI=1S/C31H48BrNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-35-30-26-33-29(25-32)28(31(30)34)24-27-21-18-17-19-22-27/h17-19,21-22,26H,2-16,20,23-25H2,1H3,(H,33,34)