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

Systemtic Name: (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranylbenzoate Openeye Name: (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C16H21ClN2O2 MolecularWeight: 308.80314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H21ClN2O2/c1-18-7-12-9-19(2)10-13(8-18)15(12)21-16(20)11-3-5-14(17)6-4-11/h3-6,12-13,15H,7-10H2,1-2H3