3-[3-(2-butoxyphenyl)-4-fluoranyl-phenyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[3-(2-butoxyphenyl)-4-fluoranyl-phenyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[3-(2-butoxyphenyl)-4-fluoro-phenyl]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[3-(2-butoxyphenyl)-4-fluorophenyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[3-(2-butoxyphenyl)-4-fluorophenyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[3-(2-butoxyphenyl)-4-fluoro-phenyl]-1H-1,2,4-triazole-5-carboxylic acid Formula: C19H18FN3O3 MolecularWeight: 355.362923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=C(C=CC(=C2)C3=NNC(=N3)C(=O)O)F

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=C(C=CC(=C2)C3=NNC(=N3)C(=O)O)F

InChI

InChI=1S/C19H18FN3O3/c1-2-3-10-26-16-7-5-4-6-13(16)14-11-12(8-9-15(14)20)17-21-18(19(24)25)23-22-17/h4-9,11H,2-3,10H2,1H3,(H,24,25)(H,21,22,23)