[3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate

Systemtic Name: [3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chloranylbenzoate Openeye Name: [3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] ester IUPAC Name: [3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl] ester Formula: C27H33ClN2O4 MolecularWeight: 485.01492

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)CCCCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)Cl)CCCCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H33ClN2O4/c1-29-15-21-17-30(11-3-2-4-19-5-10-24-25(14-19)33-13-12-32-24)18-22(16-29)26(21)34-27(31)20-6-8-23(28)9-7-20/h5-10,14,21-22,26H,2-4,11-13,15-18H2,1H3