benzoic acid; 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid

Systemtic Name: benzoic acid; 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Openeye Name: benzoic acid; 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid CAS Name: benzoic acid; 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid IUPAC Name: benzoic acid; 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Traditional Name: benzoic acid; 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)O)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN1C2CCC1C(C(C2)O)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H15NO3.C7H6O2/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;8-7(9)6-4-2-1-3-5-6/h5-8,11H,2-4H2,1H3,(H,12,13);1-5H,(H,8,9)