4-[2-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 4-[2-(2-methoxy-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-[2-(2-methoxy-2-oxo-ethyl)tetrazol-5-yl]butanoate CAS Name: 4-[2-(2-methoxy-2-oxoethyl)-5-tetrazolyl]-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-[2-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[2-(2-keto-2-methoxy-ethyl)tetrazol-5-yl]butyrate Formula: C16H18N5O6- MolecularWeight: 376.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1N=C(N=N1)CCC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CN1N=C(N=N1)CCC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19N5O6/c1-26-14(22)9-21-19-13(18-20-21)8-7-12(15(23)24)17-16(25)27-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,25)(H,23,24)/p-1