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

Systemtic Name: 2-[4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-amyl-5-butyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H31N3O2/c1-3-5-7-12-23-26-24(13-6-4-2)28(27-23)18-19-14-16-20(17-15-19)21-10-8-9-11-22(21)25(29)30/h8-11,14-17H,3-7,12-13,18H2,1-2H3,(H,29,30)