2-(bromomethyl)-5-octadecoxy-1-(1-phenylethyl)pyridin-4-one

Systemtic Name: 2-(bromomethyl)-5-octadecoxy-1-(1-phenylethyl)pyridin-4-one Openeye Name: 2-(bromomethyl)-5-octadecoxy-1-(1-phenylethyl)pyridin-4-one CAS Name: 2-(bromomethyl)-5-octadecoxy-1-(1-phenylethyl)-4-pyridinone IUPAC Name: 2-(bromomethyl)-5-octadecoxy-1-(1-phenylethyl)pyridin-4-one Traditional Name: 2-(bromomethyl)-1-(1-phenylethyl)-5-stearyloxy-4-pyridone Formula: C32H50BrNO2 MolecularWeight: 560.6489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)C(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)C(C)C2=CC=CC=C2

InChI

InChI=1S/C32H50BrNO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-36-32-27-34(30(26-33)25-31(32)35)28(2)29-22-19-18-20-23-29/h18-20,22-23,25,27-28H,3-17,21,24,26H2,1-2H3