methyl 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]ethanoate

Systemtic Name: methyl 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]ethanoate Openeye Name: methyl 2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-butyl-5-oxo-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[3-butyl-5-keto-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C23H25N7O3 MolecularWeight: 447.4897

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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)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O3/c1-3-4-9-20-26-30(15-21(31)33-2)23(32)29(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-24-27-28-25-22/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,24,25,27,28)