2-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-(2-phenylethenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-(2-phenylethenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-styryl-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-3-(2-phenylethenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-(2-phenylethenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-styryl-2-isoxazolin-5-yl]acetic acid Formula: C21H18N2O6 MolecularWeight: 394.37742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)O)C(=O)NC2=CC3=C(C=C2)OCO3)C=CC4=CC=CC=C4

Isomeric SMILES

C1C(=NOC1(CC(=O)O)C(=O)NC2=CC3=C(C=C2)OCO3)C=CC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O6/c24-19(25)12-21(11-16(23-29-21)7-6-14-4-2-1-3-5-14)20(26)22-15-8-9-17-18(10-15)28-13-27-17/h1-10H,11-13H2,(H,22,26)(H,24,25)