3-(1-methyl-5-octadecoxy-4-oxidanylidene-pyridin-2-yl)propanoic acid

Systemtic Name: 3-(1-methyl-5-octadecoxy-4-oxidanylidene-pyridin-2-yl)propanoic acid Openeye Name: 3-(1-methyl-5-octadecoxy-4-oxo-2-pyridyl)propanoic acid CAS Name: 3-(1-methyl-5-octadecoxy-4-oxo-2-pyridinyl)propanoic acid IUPAC Name: 3-(1-methyl-5-octadecoxy-4-oxopyridin-2-yl)propanoic acid Traditional Name: 3-(4-keto-1-methyl-5-stearyloxy-2-pyridyl)propionic acid Formula: C27H47NO4 MolecularWeight: 449.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CN(C(=CC1=O)CCC(=O)O)C

InChI

InChI=1S/C27H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-26-23-28(2)24(22-25(26)29)19-20-27(30)31/h22-23H,3-21H2,1-2H3,(H,30,31)