phenylcarbonyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrate

Systemtic Name: phenylcarbonyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrate Openeye Name: benzoyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrate CAS Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid benzoyl ester hydrate IUPAC Name: benzoyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate hydrate Traditional Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid benzoyl ester hydrate Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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