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

Systemtic Name: 3-[5-octadecoxy-4-oxidanylidene-1-(phenylmethyl)pyridin-2-yl]propanoic acid Openeye Name: 3-(1-benzyl-5-octadecoxy-4-oxo-2-pyridyl)propanoic acid CAS Name: 3-[5-octadecoxy-4-oxo-1-(phenylmethyl)-2-pyridinyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-octadecoxy-4-oxopyridin-2-yl)propanoic acid Traditional Name: 3-(1-benzyl-4-keto-5-stearyloxy-2-pyridyl)propionic acid Formula: C33H51NO4 MolecularWeight: 525.76234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-38-32-28-34(27-29-21-18-17-19-22-29)30(26-31(32)35)23-24-33(36)37/h17-19,21-22,26,28H,2-16,20,23-25,27H2,1H3,(H,36,37)