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

Systemtic Name: phenacyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: phenacyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid phenacyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)C2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)C2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C18H16N4O3/c23-17(15-9-5-2-6-10-15)12-25-18(24)16(22-13-19-20-21-22)11-14-7-3-1-4-8-14/h1-10,13,16H,11-12H2/t16-/m0/s1