2-[3-(2,5-dimethoxyphenyl)-5-(phenethylcarbamoyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(2,5-dimethoxyphenyl)-5-(phenethylcarbamoyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(2,5-dimethoxyphenyl)-5-(phenethylcarbamoyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[3-(2,5-dimethoxyphenyl)-5-[oxo-(phenethylamino)methyl]-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(2,5-dimethoxyphenyl)-5-(phenethylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(2,5-dimethoxyphenyl)-5-(phenethylcarbamoyl)-2-isoxazolin-5-yl]acetic acid Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NOC(C2)(CC(=O)O)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NOC(C2)(CC(=O)O)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O6/c1-28-16-8-9-19(29-2)17(12-16)18-13-22(30-24-18,14-20(25)26)21(27)23-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,27)(H,25,26)