methyl 3-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propanoate

Systemtic Name: methyl 3-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]propanoate Openeye Name: methyl 3-(1-benzyltetrazol-5-yl)propanoate CAS Name: 3-[1-(phenylmethyl)-5-tetrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-benzyltetrazol-5-yl)propanoate Traditional Name: 3-(1-benzyltetrazol-5-yl)propionic acid methyl ester Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NN=NN1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC1=NN=NN1CC2=CC=CC=C2

InChI

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