[(1S,2R)-1-(6-bromanylpyridin-2-yl)-1-(phenylcarbonyloxy)but-3-en-2-yl] benzoate

Systemtic Name: [(1S,2R)-1-(6-bromanylpyridin-2-yl)-1-(phenylcarbonyloxy)but-3-en-2-yl] benzoate Openeye Name: [(1R)-1-[(S)-benzoyloxy-(6-bromo-2-pyridyl)methyl]allyl] benzoate CAS Name: benzoic acid [(1S,2R)-1-benzoyloxy-1-(6-bromo-2-pyridinyl)but-3-en-2-yl] ester IUPAC Name: [(1S,2R)-1-benzoyloxy-1-(6-bromopyridin-2-yl)but-3-en-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(S)-benzoyloxy-(6-bromo-2-pyridyl)methyl]allyl] ester Formula: C23H18BrNO4 MolecularWeight: 452.29732

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1=NC(=CC=C1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C=C[C@H]([C@H](C1=NC(=CC=C1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H18BrNO4/c1-2-19(28-22(26)16-10-5-3-6-11-16)21(18-14-9-15-20(24)25-18)29-23(27)17-12-7-4-8-13-17/h2-15,19,21H,1H2/t19-,21+/m1/s1