(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(3-bromanylphenoxy)butanoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H17BrN4O3 MolecularWeight: 417.25658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)CCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN4O3/c19-14-6-4-9-16(12-14)25-11-5-10-18(24)26-13-17-20-21-22-23(17)15-7-2-1-3-8-15/h1-4,6-9,12H,5,10-11,13H2