3-[3-[3-(3-cyanoundec-10-enylsulfinyl)-5-cyclohex-3-en-1-yl-phenyl]-4-oxidanylidene-pyridin-1-yl]propanoic acid

Systemtic Name: 3-[3-[3-(3-cyanoundec-10-enylsulfinyl)-5-cyclohex-3-en-1-yl-phenyl]-4-oxidanylidene-pyridin-1-yl]propanoic acid Openeye Name: 3-[3-[3-(3-cyanoundec-10-enylsulfinyl)-5-cyclohex-3-en-1-yl-phenyl]-4-oxo-1-pyridyl]propanoic acid CAS Name: 3-[3-[3-(3-cyanoundec-10-enylsulfinyl)-5-(1-cyclohex-3-enyl)phenyl]-4-oxo-1-pyridinyl]propanoic acid IUPAC Name: 3-[3-[3-(3-cyanoundec-10-enylsulfinyl)-5-cyclohex-3-en-1-ylphenyl]-4-oxopyridin-1-yl]propanoic acid Traditional Name: 3-[3-[3-(3-cyanoundec-10-enylsulfinyl)-5-cyclohex-3-en-1-yl-phenyl]-4-keto-1-pyridyl]propionic acid Formula: C32H40N2O4S MolecularWeight: 548.736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCC(CCS(=O)C1=CC(=CC(=C1)C2CCC=CC2)C3=CN(C=CC3=O)CCC(=O)O)C#N

Isomeric SMILES

C=CCCCCCCC(CCS(=O)C1=CC(=CC(=C1)C2CCC=CC2)C3=CN(C=CC3=O)CCC(=O)O)C#N

InChI

InChI=1S/C32H40N2O4S/c1-2-3-4-5-6-8-11-25(23-33)16-19-39(38)29-21-27(26-12-9-7-10-13-26)20-28(22-29)30-24-34(17-14-31(30)35)18-15-32(36)37/h2,7,9,14,17,20-22,24-26H,1,3-6,8,10-13,15-16,18-19H2,(H,36,37)