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

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylcarbamoyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-5-(3-pyridylmethylcarbamoyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[3-(3,4-dimethoxyphenyl)-5-[oxo-(3-pyridinylmethylamino)methyl]-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-5-(3-pyridylmethylcarbamoyl)-2-isoxazolin-5-yl]acetic acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NCC3=CN=CC=C3)OC

InChI

InChI=1S/C20H21N3O6/c1-27-16-6-5-14(8-17(16)28-2)15-9-20(29-23-15,10-18(24)25)19(26)22-12-13-4-3-7-21-11-13/h3-8,11H,9-10,12H2,1-2H3,(H,22,26)(H,24,25)