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

Systemtic Name: 2-[[3-butyl-5-oxidanylidene-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]methyl]benzoic acid CAS Name: 2-[[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]methyl]benzoic acid IUPAC Name: 2-[[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[3-butyl-5-keto-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-1-yl]methyl]benzoic acid Formula: C28H27N7O3 MolecularWeight: 509.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H27N7O3/c1-2-3-12-25-31-35(18-21-8-4-5-10-23(21)27(36)37)28(38)34(25)17-19-13-15-20(16-14-19)22-9-6-7-11-24(22)26-29-32-33-30-26/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,36,37)(H,29,30,32,33)