(3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranylbenzoate

Systemtic Name: (3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranylbenzoate Openeye Name: (3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: (3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3,7-diethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C18H25ClN2O2 MolecularWeight: 336.8563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O2/c1-3-20-9-14-11-21(4-2)12-15(10-20)17(14)23-18(22)13-5-7-16(19)8-6-13/h5-8,14-15,17H,3-4,9-12H2,1-2H3