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

Systemtic Name: methyl 4-(5-phenyl-1,2,3,4-tetrazol-1-yl)butanoate Openeye Name: methyl 4-(5-phenyltetrazol-1-yl)butanoate CAS Name: 4-(5-phenyl-1-tetrazolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-phenyltetrazol-1-yl)butanoate Traditional Name: 4-(5-phenyltetrazol-1-yl)butyric acid methyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(=NN=N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCN1C(=NN=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2/c1-18-11(17)8-5-9-16-12(13-14-15-16)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3