[(1S)-7-bromanyl-1-(4-cyanophenyl)heptyl] (2S)-2-acetyloxy-2-phenyl-ethanoate

Systemtic Name: [(1S)-7-bromanyl-1-(4-cyanophenyl)heptyl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(1S)-7-bromo-1-(4-cyanophenyl)heptyl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(1S)-7-bromo-1-(4-cyanophenyl)heptyl] ester IUPAC Name: [(1S)-7-bromo-1-(4-cyanophenyl)heptyl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(1S)-7-bromo-1-(4-cyanophenyl)heptyl] ester Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)OC(CCCCCCBr)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](CCCCCCBr)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H26BrNO4/c1-18(27)29-23(21-9-5-4-6-10-21)24(28)30-22(11-7-2-3-8-16-25)20-14-12-19(17-26)13-15-20/h4-6,9-10,12-15,22-23H,2-3,7-8,11,16H2,1H3/t22-,23-/m0/s1