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

Systemtic Name: (3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chloranylbenzoate Openeye Name: (3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester IUPAC Name: (3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C22H33ClN2O2 MolecularWeight: 392.96262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)CCCC

Isomeric SMILES

CCCCN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)CCCC

InChI

InChI=1S/C22H33ClN2O2/c1-3-5-11-24-13-18-15-25(12-6-4-2)16-19(14-24)21(18)27-22(26)17-7-9-20(23)10-8-17/h7-10,18-19,21H,3-6,11-16H2,1-2H3