(3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-phenylbenzoate

Systemtic Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-phenylbenzoate Openeye Name: (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) 4-phenylbenzoate CAS Name: 4-phenylbenzoic 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-phenylbenzoate Traditional Name: 4-phenylbenzoic acid (3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-yl) ester Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCN1CC2CN(CC(C1)C2OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N2O2/c1-3-25-15-20-13-24(2)14-21(16-25)22(20)27-23(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,20-22H,3,13-16H2,1-2H3