9-methyl-9-azabicyclo[3.3.1]nonan-3-ol; 2-phenylethanoic acid

Systemtic Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-ol; 2-phenylethanoic acid Openeye Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-ol; 2-phenylacetic acid CAS Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-ol; 2-phenylacetic acid IUPAC Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-ol; 2-phenylacetic acid Traditional Name: 9-methyl-9-azabicyclo[3.3.1]nonan-3-ol; 2-phenylacetic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCC1CC(C2)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CN1C2CCCC1CC(C2)O.C1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C9H17NO.2C8H8O2/c1-10-7-3-2-4-8(10)6-9(11)5-7;2*9-8(10)6-7-4-2-1-3-5-7/h7-9,11H,2-6H2,1H3;2*1-5H,6H2,(H,9,10)