2-(bromomethyl)-5-octadecoxy-1-[(4-phenylmethoxyphenyl)methyl]pyridin-4-one

Systemtic Name: 2-(bromomethyl)-5-octadecoxy-1-[(4-phenylmethoxyphenyl)methyl]pyridin-4-one Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-2-(bromomethyl)-5-octadecoxy-pyridin-4-one CAS Name: 2-(bromomethyl)-5-octadecoxy-1-[(4-phenylmethoxyphenyl)methyl]-4-pyridinone IUPAC Name: 2-(bromomethyl)-5-octadecoxy-1-[(4-phenylmethoxyphenyl)methyl]pyridin-4-one Traditional Name: 1-(4-benzoxybenzyl)-2-(bromomethyl)-5-stearyloxy-4-pyridone Formula: C38H54BrNO3 MolecularWeight: 652.74426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CBr)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C38H54BrNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-42-38-31-40(35(29-39)28-37(38)41)30-33-23-25-36(26-24-33)43-32-34-21-18-17-19-22-34/h17-19,21-26,28,31H,2-16,20,27,29-30,32H2,1H3