(3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranyl-3-oxidanyl-benzoate

Systemtic Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranyl-3-oxidanyl-benzoate Openeye Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloro-3-hydroxy-benzoate CAS Name: 4-chloro-3-hydroxybenzoic acid (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloro-3-hydroxybenzoate Traditional Name: 4-chloro-3-hydroxy-benzoic acid (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C17H23ClN2O3 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2CN(CC(C1)C2OC(=O)C3=CC(=C(C=C3)Cl)O)C

Isomeric SMILES

CCN1CC2CN(CC(C1)C2OC(=O)C3=CC(=C(C=C3)Cl)O)C

InChI

InChI=1S/C17H23ClN2O3/c1-3-20-9-12-7-19(2)8-13(10-20)16(12)23-17(22)11-4-5-14(18)15(21)6-11/h4-6,12-13,16,21H,3,7-10H2,1-2H3