ethyl 4-[6-(imidazol-1-ylmethyl)benzotriazol-1-yl]oxybutanoate

Systemtic Name: ethyl 4-[6-(imidazol-1-ylmethyl)benzotriazol-1-yl]oxybutanoate Openeye Name: ethyl 4-[6-(imidazol-1-ylmethyl)benzotriazol-1-yl]oxybutanoate CAS Name: 4-[[6-(1-imidazolylmethyl)-1-benzotriazolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[6-(imidazol-1-ylmethyl)benzotriazol-1-yl]oxybutanoate Traditional Name: 4-[6-(imidazol-1-ylmethyl)benzotriazol-1-yl]oxybutyric acid ethyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCON1C2=C(C=CC(=C2)CN3C=CN=C3)N=N1

Isomeric SMILES

CCOC(=O)CCCON1C2=C(C=CC(=C2)CN3C=CN=C3)N=N1

InChI

InChI=1S/C16H19N5O3/c1-2-23-16(22)4-3-9-24-21-15-10-13(5-6-14(15)18-19-21)11-20-8-7-17-12-20/h5-8,10,12H,2-4,9,11H2,1H3