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

Systemtic Name: [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] propanoate Openeye Name: [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [3-(9-methoxy-3-phenethyl-3-azabicyclo[3.3.1]nonan-9-yl)phenyl] ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC(=C1)C2(C3CCCC2CN(C3)CCC4=CC=CC=C4)OC

Isomeric SMILES

CCC(=O)OC1=CC=CC(=C1)C2(C3CCCC2CN(C3)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H33NO3/c1-3-25(28)30-24-14-8-11-21(17-24)26(29-2)22-12-7-13-23(26)19-27(18-22)16-15-20-9-5-4-6-10-20/h4-6,8-11,14,17,22-23H,3,7,12-13,15-16,18-19H2,1-2H3