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

Systemtic Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]triazole-4-carboxylic acid CAS Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-4-triazolecarboxylic acid IUPAC Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]triazole-4-carboxylic acid Traditional Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methyl-anthranil-5-yl]triazole-4-carboxylic acid Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3/c1-3-4-5-17-19(21(27)28)23-25-26(17)18-11-15-16(10-12(18)2)24-29-20(15)13-6-8-14(22)9-7-13/h6-11H,3-5H2,1-2H3,(H,27,28)