2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-6-phenyl-benzoic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-2-3-17-23-27-25(20-13-8-5-9-14-20)28-29(23)18-21-15-10-16-22(24(21)26(30)31)19-11-6-4-7-12-19/h4-16H,2-3,17-18H2,1H3,(H,30,31)