2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazol-4-yl]ethanoic acid Openeye Name: 2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazol-4-yl]acetic acid CAS Name: 2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolyl]acetic acid IUPAC Name: 2-[5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazol-4-yl]acetic acid Traditional Name: 2-[5-methyl-1-(3-phenylanthranil-5-yl)triazol-4-yl]acetic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C18H14N4O3/c1-11-16(10-17(23)24)19-21-22(11)13-7-8-15-14(9-13)18(25-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,23,24)