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

Systemtic Name: 2-[5-(benzotriazol-1-ylcarbonyl)-3-(2,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(benzotriazole-1-carbonyl)-3-(2,4-dimethoxyphenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[1-benzotriazolyl(oxo)methyl]-3-(2,4-dimethoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(benzotriazole-1-carbonyl)-3-(2,4-dimethoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(benzotriazole-1-carbonyl)-3-(2,4-dimethoxyphenyl)-2-isoxazolin-5-yl]acetic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)N3C4=CC=CC=C4N=N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)N3C4=CC=CC=C4N=N3)OC

InChI

InChI=1S/C20H18N4O6/c1-28-12-7-8-13(17(9-12)29-2)15-10-20(30-22-15,11-18(25)26)19(27)24-16-6-4-3-5-14(16)21-23-24/h3-9H,10-11H2,1-2H3,(H,25,26)