8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylic acid tetrahydrate

Systemtic Name: 8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylic acid tetrahydrate Openeye Name: 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid tetrahydrate CAS Name: 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid tetrahydrate IUPAC Name: 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid tetrahydrate Traditional Name: 3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid tetrahydrate Formula: C16H27NO8 MolecularWeight: 361.38748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O.O.O.O.O

Isomeric SMILES

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O.O.O.O.O

InChI

InChI=1S/C16H19NO4.4H2O/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10;;;;/h2-6,11-14H,7-9H2,1H3,(H,18,19);4*1H2