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

Systemtic Name: 2-[2-(4-dodecoxyphenyl)-5-ethoxy-4-ethyl-5H-1,3-oxazol-4-yl]ethanoic acid Openeye Name: 2-[2-(4-dodecoxyphenyl)-5-ethoxy-4-ethyl-5H-oxazol-4-yl]acetic acid CAS Name: 2-[2-(4-dodecoxyphenyl)-5-ethoxy-4-ethyl-5H-oxazol-4-yl]acetic acid IUPAC Name: 2-[2-(4-dodecoxyphenyl)-5-ethoxy-4-ethyl-5H-1,3-oxazol-4-yl]acetic acid Traditional Name: 2-[5-ethoxy-4-ethyl-2-(4-lauryloxyphenyl)-2-oxazolin-4-yl]acetic acid Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC(C(O2)OCC)(CC)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC(C(O2)OCC)(CC)CC(=O)O

InChI

InChI=1S/C27H43NO5/c1-4-7-8-9-10-11-12-13-14-15-20-32-23-18-16-22(17-19-23)25-28-27(5-2,21-24(29)30)26(33-25)31-6-3/h16-19,26H,4-15,20-21H2,1-3H3,(H,29,30)