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

Systemtic Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-propyl-triazole-4-carboxylic acid CAS Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)-6-methoxy-2,1-benzoxazol-5-yl]-5-propyltriazole-4-carboxylic acid Traditional Name: 1-[3-(4-chlorophenyl)-6-methoxy-anthranil-5-yl]-5-propyl-triazole-4-carboxylic acid Formula: C20H17ClN4O4 MolecularWeight: 412.82638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2OC)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC3=C(ON=C3C=C2OC)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H17ClN4O4/c1-3-4-15-18(20(26)27)22-24-25(15)16-9-13-14(10-17(16)28-2)23-29-19(13)11-5-7-12(21)8-6-11/h5-10H,3-4H2,1-2H3,(H,26,27)