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

Systemtic Name: 2-[4-[(5-pentyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-pentyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-pentyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-pentyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-amyl-3-phenethyl-1,2,4-triazol-1-yl)methyl]phenyl]benzoic acid Formula: C29H31N3O2 MolecularWeight: 453.57534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=NC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O2/c1-2-3-5-14-28-30-27(20-17-22-10-6-4-7-11-22)31-32(28)21-23-15-18-24(19-16-23)25-12-8-9-13-26(25)29(33)34/h4,6-13,15-16,18-19H,2-3,5,14,17,20-21H2,1H3,(H,33,34)