5-butyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-butyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-butyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-butyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-butyl-1-(3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-butyl-1-(3-phenylanthranil-5-yl)triazole-4-carboxylic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H18N4O3/c1-2-3-9-17-18(20(25)26)21-23-24(17)14-10-11-16-15(12-14)19(27-22-16)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9H2,1H3,(H,25,26)