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

Systemtic Name: (4-bromophenyl)methyl (2S)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: (4-bromophenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1-tetrazolyl)propanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(tetrazol-1-yl)propionic acid (4-bromobenzyl) ester Formula: C17H15BrN4O2 MolecularWeight: 387.2306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)Br)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)Br)N3C=NN=N3

InChI

InChI=1S/C17H15BrN4O2/c18-15-8-6-14(7-9-15)11-24-17(23)16(22-12-19-20-21-22)10-13-4-2-1-3-5-13/h1-9,12,16H,10-11H2/t16-/m0/s1