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

Systemtic Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]triazole-4-carboxylic acid CAS Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-4-triazolecarboxylic acid IUPAC Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]triazole-4-carboxylic acid Traditional Name: 5-butyl-1-[3-(4-chlorophenyl)-6-methoxy-anthranil-5-yl]triazole-4-carboxylic acid Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2OC)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2OC)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN4O4/c1-3-4-5-16-19(21(27)28)23-25-26(16)17-10-14-15(11-18(17)29-2)24-30-20(14)12-6-8-13(22)9-7-12/h6-11H,3-5H2,1-2H3,(H,27,28)