(3S)-3-(4-ethoxyphenyl)-3-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: (3S)-3-(4-ethoxyphenyl)-3-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (3S)-3-(4-ethoxyphenyl)-3-(tetrazol-1-yl)propanoate CAS Name: (3S)-3-(4-ethoxyphenyl)-3-(1-tetrazolyl)propanoate IUPAC Name: (3S)-3-(4-ethoxyphenyl)-3-(tetrazol-1-yl)propanoate Traditional Name: (3S)-3-p-phenetyl-3-(tetrazol-1-yl)propionate Formula: C12H13N4O3- MolecularWeight: 261.25662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)[O-])N2C=NN=N2

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])N2C=NN=N2

InChI

InChI=1S/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)/p-1/t11-/m0/s1