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

Systemtic Name: 2-[5-(benzotriazol-1-ylcarbonyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(benzotriazole-1-carbonyl)-3-(4-methoxyphenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[1-benzotriazolyl(oxo)methyl]-3-(4-methoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(benzotriazole-1-carbonyl)-3-(4-methoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(benzotriazole-1-carbonyl)-3-(4-methoxyphenyl)-2-isoxazolin-5-yl]acetic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5/c1-27-13-8-6-12(7-9-13)15-10-19(28-21-15,11-17(24)25)18(26)23-16-5-3-2-4-14(16)20-22-23/h2-9H,10-11H2,1H3,(H,24,25)