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

Systemtic Name: 4-[1-(3-methoxy-3-oxidanylidene-propyl)-1,2,3,4-tetrazol-5-yl]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-[1-(3-methoxy-3-oxo-propyl)tetrazol-5-yl]butanoate CAS Name: 4-[1-(3-methoxy-3-oxopropyl)-5-tetrazolyl]-2-(phenylmethoxycarbonylamino)butanoate IUPAC Name: 4-[1-(3-methoxy-3-oxopropyl)tetrazol-5-yl]-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[1-(3-keto-3-methoxy-propyl)tetrazol-5-yl]butyrate Formula: C17H20N5O6- MolecularWeight: 390.3706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=NN=N1)CCC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1C(=NN=N1)CCC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21N5O6/c1-27-15(23)9-10-22-14(19-20-21-22)8-7-13(16(24)25)18-17(26)28-11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,26)(H,24,25)/p-1