[3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] benzoate

Systemtic Name: [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] benzoate Openeye Name: [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] benzoate CAS Name: benzoic acid [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] ester IUPAC Name: [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] benzoate Traditional Name: benzoic acid [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] ester Formula: C30H33NO3 MolecularWeight: 455.58792

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2CCCC1CN(C2)CCC3=CC=CC=C3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1(C2CCCC1CN(C2)CCC3=CC=CC=C3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H33NO3/c1-33-30(25-14-9-17-28(20-25)34-29(32)24-12-6-3-7-13-24)26-15-8-16-27(30)22-31(21-26)19-18-23-10-4-2-5-11-23/h2-7,9-14,17,20,26-27H,8,15-16,18-19,21-22H2,1H3