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

Systemtic Name: 1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(6-methyl-3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(6-methyl-3-phenyl-anthranil-5-yl)-5-propyl-triazole-4-carboxylic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-3-7-16-18(20(25)26)21-23-24(16)17-11-14-15(10-12(17)2)22-27-19(14)13-8-5-4-6-9-13/h4-6,8-11H,3,7H2,1-2H3,(H,25,26)