5-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]triazole-4-carboxylic acid CAS Name: 5-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-4-triazolecarboxylic acid IUPAC Name: 5-butyl-1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]triazole-4-carboxylic acid Traditional Name: 5-butyl-1-[3-(4-chlorophenyl)anthranil-5-yl]triazole-4-carboxylic acid Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O3/c1-2-3-4-17-18(20(26)27)22-24-25(17)14-9-10-16-15(11-14)19(28-23-16)12-5-7-13(21)8-6-12/h5-11H,2-4H2,1H3,(H,26,27)