2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(3-dodecylisoxazol-5-yl)-2-phenyl-acetic acid CAS Name: 2-(3-dodecyl-5-isoxazolyl)-2-phenylacetic acid IUPAC Name: 2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetic acid Traditional Name: 2-(3-laurylisoxazol-5-yl)-2-phenyl-acetic acid Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NOC(=C1)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=NOC(=C1)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H33NO3/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-21(27-24-20)22(23(25)26)19-15-12-11-13-16-19/h11-13,15-16,18,22H,2-10,14,17H2,1H3,(H,25,26)