3-[3-(4-ethynyl-2-prop-2-enyl-phenoxy)propyl]-3-azabicyclo[2.2.2]octan-2-one

Systemtic Name: 3-[3-(4-ethynyl-2-prop-2-enyl-phenoxy)propyl]-3-azabicyclo[2.2.2]octan-2-one Openeye Name: 3-[3-(2-allyl-4-ethynyl-phenoxy)propyl]-3-azabicyclo[2.2.2]octan-2-one CAS Name: 3-[3-(4-ethynyl-2-prop-2-enylphenoxy)propyl]-3-azabicyclo[2.2.2]octan-2-one IUPAC Name: 3-[3-(4-ethynyl-2-prop-2-enylphenoxy)propyl]-3-azabicyclo[2.2.2]octan-2-one Traditional Name: 3-[3-(2-allyl-4-ethynyl-phenoxy)propyl]-3-azabicyclo[2.2.2]octan-2-one Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)C#C)OCCCN2C3CCC(C2=O)CC3

Isomeric SMILES

C=CCC1=C(C=CC(=C1)C#C)OCCCN2C3CCC(C2=O)CC3

InChI

InChI=1S/C21H25NO2/c1-3-6-18-15-16(4-2)7-12-20(18)24-14-5-13-22-19-10-8-17(9-11-19)21(22)23/h2-3,7,12,15,17,19H,1,5-6,8-11,13-14H2