2-cyano-3-[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]propanoic acid

Systemtic Name: 2-cyano-3-[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-octadecoxy-4-oxo-2-pyridyl)-2-cyano-propanoic acid CAS Name: 2-cyano-3-[5-octadecoxy-4-oxo-1-(phenylmethyl)-2-pyridinyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-octadecoxy-4-oxopyridin-2-yl)-2-cyanopropanoic acid Traditional Name: 3-(1-benzyl-4-keto-5-stearyloxy-2-pyridyl)-2-cyano-propionic acid Formula: C34H50N2O4 MolecularWeight: 550.7718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CC(C#N)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CC(C#N)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C34H50N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-40-33-28-36(27-29-21-18-17-19-22-29)31(25-32(33)37)24-30(26-35)34(38)39/h17-19,21-22,25,28,30H,2-16,20,23-24,27H2,1H3,(H,38,39)