methyl (1R,3S)-8-ethanoyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S)-8-ethanoyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S)-8-acetyl-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S)-8-acetyl-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-8-acetyl-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S)-8-acetyl-3-benzoyloxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1[C@@H]2CCC1C([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H21NO5/c1-11(20)19-13-8-9-14(19)16(18(22)23-2)15(10-13)24-17(21)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13-,14?,15+,16?/m1/s1