ethyl 3-[4-[3-(3-azabicyclo[2.2.2]octan-3-yl)propoxy]phenyl]prop-2-ynoate

Systemtic Name: ethyl 3-[4-[3-(3-azabicyclo[2.2.2]octan-3-yl)propoxy]phenyl]prop-2-ynoate Openeye Name: ethyl 3-[4-[3-(3-azabicyclo[2.2.2]octan-3-yl)propoxy]phenyl]prop-2-ynoate CAS Name: 3-[4-[3-(3-azabicyclo[2.2.2]octan-3-yl)propoxy]phenyl]-2-propynoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(3-azabicyclo[2.2.2]octan-3-yl)propoxy]phenyl]prop-2-ynoate Traditional Name: 3-[4-[3-(3-azabicyclo[2.2.2]octan-3-yl)propoxy]phenyl]propiolic acid ethyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC1=CC=C(C=C1)OCCCN2CC3CCC2CC3

Isomeric SMILES

CCOC(=O)C#CC1=CC=C(C=C1)OCCCN2CC3CCC2CC3

InChI

InChI=1S/C21H27NO3/c1-2-24-21(23)13-8-17-6-11-20(12-7-17)25-15-3-14-22-16-18-4-9-19(22)10-5-18/h6-7,11-12,18-19H,2-5,9-10,14-16H2,1H3