(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazin-1-yl)propanoate

Systemtic Name: (8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazin-1-yl)propanoate Openeye Name: (8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazin-1-yl)propanoate CAS Name: 3-(4-methyl-1-piperazinyl)propanoic acid (8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-methylpiperazin-1-yl)propanoate Traditional Name: 3-(4-methylpiperazino)propionic acid (8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C23H35N3O2 MolecularWeight: 385.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC(=O)OC2CC3CCC(C2)N3CCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCC(=O)OC2CC3CCC(C2)N3CCC4=CC=CC=C4

InChI

InChI=1S/C23H35N3O2/c1-24-13-15-25(16-14-24)11-10-23(27)28-22-17-20-7-8-21(18-22)26(20)12-9-19-5-3-2-4-6-19/h2-6,20-22H,7-18H2,1H3