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

Systemtic Name: [(1S)-7-bromanyl-1-cyclohexyl-heptyl] (2S)-2-acetyloxy-2-phenyl-ethanoate Openeye Name: [(1S)-7-bromo-1-cyclohexyl-heptyl] (2S)-2-acetoxy-2-phenyl-acetate CAS Name: (2S)-2-acetyloxy-2-phenylacetic acid [(1S)-7-bromo-1-cyclohexylheptyl] ester IUPAC Name: [(1S)-7-bromo-1-cyclohexylheptyl] (2S)-2-acetyloxy-2-phenylacetate Traditional Name: (2S)-2-acetoxy-2-phenyl-acetic acid [(1S)-7-bromo-1-cyclohexyl-heptyl] ester Formula: C23H33BrO4 MolecularWeight: 453.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)OC(CCCCCCBr)C2CCCCC2

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)O[C@@H](CCCCCCBr)C2CCCCC2

InChI

InChI=1S/C23H33BrO4/c1-18(25)27-22(20-14-8-5-9-15-20)23(26)28-21(16-10-2-3-11-17-24)19-12-6-4-7-13-19/h5,8-9,14-15,19,21-22H,2-4,6-7,10-13,16-17H2,1H3/t21-,22-/m0/s1