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

Systemtic Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-propyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-propyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-6-methyl-anthranil-5-yl]-5-propyl-triazole-4-carboxylic acid Formula: C20H17ClN4O3 MolecularWeight: 396.82698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2C)C4=CC=C(C=C4)Cl)C(=O)O

InChI

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