5-butyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-butyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-butyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid CAS Name: 5-butyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-4-triazolecarboxylic acid IUPAC Name: 5-butyl-1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)triazole-4-carboxylic acid Traditional Name: 5-butyl-1-(6-methyl-3-phenyl-anthranil-5-yl)triazole-4-carboxylic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H20N4O3/c1-3-4-10-17-19(21(26)27)22-24-25(17)18-12-15-16(11-13(18)2)23-28-20(15)14-8-6-5-7-9-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,26,27)