[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-(4-acetyloxyphenyl)-3-phenyl-prop-2-enoate hydrochloride

Systemtic Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-(4-acetyloxyphenyl)-3-phenyl-prop-2-enoate hydrochloride Openeye Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-(4-acetoxyphenyl)-3-phenyl-prop-2-enoate hydrochloride CAS Name: (E)-2-(4-acetyloxyphenyl)-3-phenyl-2-propenoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester hydrochloride IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-(4-acetyloxyphenyl)-3-phenylprop-2-enoate hydrochloride Traditional Name: (E)-2-(4-acetoxyphenyl)-3-phenyl-acrylic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester hydrochloride Formula: C25H28ClNO4 MolecularWeight: 441.94712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=CC2=CC=CC=C2)C(=O)OC3CC4CCC(C3)N4C.Cl

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C(=C\C2=CC=CC=C2)/C(=O)OC3C[C@H]4CC[C@@H](C3)N4C.Cl

InChI

InChI=1S/C25H27NO4.ClH/c1-17(27)29-22-12-8-19(9-13-22)24(14-18-6-4-3-5-7-18)25(28)30-23-15-20-10-11-21(16-23)26(20)2;/h3-9,12-14,20-21,23H,10-11,15-16H2,1-2H3;1H/b24-14+;/t20-,21+,23?;