(1S,5S)-5-(3-methoxyphenyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-9-one

Systemtic Name: (1S,5S)-5-(3-methoxyphenyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-9-one Openeye Name: (1S,5S)-5-(3-methoxyphenyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-9-one CAS Name: (1S,5S)-5-(3-methoxyphenyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-9-one IUPAC Name: (1S,5S)-5-(3-methoxyphenyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-9-one Traditional Name: (1S,5S)-5-(3-methoxyphenyl)-2-phenethyl-2-azabicyclo[3.3.1]nonan-9-one Formula: C23H27NO2 MolecularWeight: 349.46598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C23CCCC(C2=O)N(CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)[C@@]23CCC[C@@H](C2=O)N(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27NO2/c1-26-20-10-5-9-19(17-20)23-13-6-11-21(22(23)25)24(16-14-23)15-12-18-7-3-2-4-8-18/h2-5,7-10,17,21H,6,11-16H2,1H3/t21-,23-/m0/s1