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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC=C2)N3C=NN=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H](CC2=CC=CC=C2)N3C=NN=N3

InChI

InChI=1S/C18H16N4O3/c1-13(23)15-7-9-16(10-8-15)25-18(24)17(22-12-19-20-21-22)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3/t17-/m0/s1