methyl 3-[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]propanoate

Systemtic Name: methyl 3-[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]propanoate Openeye Name: methyl 3-(1-benzyl-5-octadecoxy-4-oxo-2-pyridyl)propanoate CAS Name: 3-[5-octadecoxy-4-oxo-1-(phenylmethyl)-2-pyridinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyl-5-octadecoxy-4-oxopyridin-2-yl)propanoate Traditional Name: 3-(1-benzyl-4-keto-5-stearyloxy-2-pyridyl)propionic acid methyl ester Formula: C34H53NO4 MolecularWeight: 539.78892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCC(=O)OC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCC(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C34H53NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-39-33-29-35(28-30-22-19-18-20-23-30)31(27-32(33)36)24-25-34(37)38-2/h18-20,22-23,27,29H,3-17,21,24-26,28H2,1-2H3