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

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl) 2-(phenylmethoxycarbonylamino)-4-(2H-1,2,3,4-tetrazol-5-yl)butanoate Openeye Name: (3-methoxy-3-oxo-propyl) 2-(benzyloxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate CAS Name: 2-(phenylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoic acid (3-methoxy-3-oxopropyl) ester IUPAC Name: (3-methoxy-3-oxopropyl) 2-(phenylmethoxycarbonylamino)-4-(2H-tetrazol-5-yl)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(2H-tetrazol-5-yl)butyric acid (3-keto-3-methoxy-propyl) ester Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCOC(=O)C(CCC1=NNN=N1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCOC(=O)C(CCC1=NNN=N1)NC(=O)OCC2=CC=CC=C2

InChI

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