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

Systemtic Name: tert-butyl 2-cyano-3-[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]propanoate Openeye Name: tert-butyl 3-(1-benzyl-5-octadecoxy-4-oxo-3-pyridyl)-2-cyano-propanoate CAS Name: 2-cyano-3-[5-octadecoxy-4-oxo-1-(phenylmethyl)-3-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-benzyl-5-octadecoxy-4-oxopyridin-3-yl)-2-cyanopropanoate Traditional Name: 3-(1-benzyl-4-keto-5-stearyloxy-3-pyridyl)-2-cyano-propionic acid tert-butyl ester Formula: C38H58N2O4 MolecularWeight: 606.87812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C=C(C1=O)CC(C#N)C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C=C(C1=O)CC(C#N)C(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C38H58N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-43-35-31-40(29-32-24-21-20-22-25-32)30-34(36(35)41)27-33(28-39)37(42)44-38(2,3)4/h20-22,24-25,30-31,33H,5-19,23,26-27,29H2,1-4H3