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]-2-phenyl-ethanoic 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]-2-phenyl-ethanoic acid Openeye Name: 2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]-2-phenyl-acetic acid CAS Name: 2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]-2-phenylacetic acid IUPAC Name: 2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]-2-phenylacetic acid Traditional Name: 2-[3-butyl-5-keto-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-1-yl]-2-phenyl-acetic 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)C(C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(C5=CC=CC=C5)C(=O)O

InChI

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