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

Systemtic Name: 2-[3-(2-prop-2-enoxyphenyl)-5-(pyridin-3-ylmethylcarbamoyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(2-allyloxyphenyl)-5-(3-pyridylmethylcarbamoyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[oxo-(3-pyridinylmethylamino)methyl]-3-(2-prop-2-enoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(2-prop-2-enoxyphenyl)-5-(pyridin-3-ylmethylcarbamoyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(2-allyloxyphenyl)-5-(3-pyridylmethylcarbamoyl)-2-isoxazolin-5-yl]acetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C2=NOC(C2)(CC(=O)O)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C=CCOC1=CC=CC=C1C2=NOC(C2)(CC(=O)O)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-2-10-28-18-8-4-3-7-16(18)17-11-21(29-24-17,12-19(25)26)20(27)23-14-15-6-5-9-22-13-15/h2-9,13H,1,10-12,14H2,(H,23,27)(H,25,26)