(3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranyl-3,5-bis(oxidanyl)benzoate

Systemtic Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranyl-3,5-bis(oxidanyl)benzoate Openeye Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloro-3,5-dihydroxy-benzoate CAS Name: 4-chloro-3,5-dihydroxybenzoic 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-3,5-dihydroxybenzoate Traditional Name: 4-chloro-3,5-dihydroxy-benzoic acid (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O4/c1-3-20-8-11-6-19(2)7-12(9-20)16(11)24-17(23)10-4-13(21)15(18)14(22)5-10/h4-5,11-12,16,21-22H,3,6-9H2,1-2H3