2-[5-ethoxy-4-ethyl-2-(4-octadecoxyphenyl)-5H-1,3-oxazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-ethoxy-4-ethyl-2-(4-octadecoxyphenyl)-5H-1,3-oxazol-4-yl]ethanoic acid Openeye Name: 2-[5-ethoxy-4-ethyl-2-(4-octadecoxyphenyl)-5H-oxazol-4-yl]acetic acid CAS Name: 2-[5-ethoxy-4-ethyl-2-(4-octadecoxyphenyl)-5H-oxazol-4-yl]acetic acid IUPAC Name: 2-[5-ethoxy-4-ethyl-2-(4-octadecoxyphenyl)-5H-1,3-oxazol-4-yl]acetic acid Traditional Name: 2-[5-ethoxy-4-ethyl-2-(4-stearyloxyphenyl)-2-oxazolin-4-yl]acetic acid Formula: C33H55NO5 MolecularWeight: 545.7935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC(C(O2)OCC)(CC)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC(C(O2)OCC)(CC)CC(=O)O

InChI

InChI=1S/C33H55NO5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-38-29-24-22-28(23-25-29)31-34-33(5-2,27-30(35)36)32(39-31)37-6-3/h22-25,32H,4-21,26-27H2,1-3H3,(H,35,36)