(8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (E)-4-methyl-2-oxidanyl-2-phenyl-hex-3-en-5-ynoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (E)-4-methyl-2-oxidanyl-2-phenyl-hex-3-en-5-ynoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (E)-2-hydroxy-4-methyl-2-phenyl-hex-3-en-5-ynoate CAS Name: (E)-2-hydroxy-4-methyl-2-phenylhex-3-en-5-ynoic acid (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (E)-2-hydroxy-4-methyl-2-phenylhex-3-en-5-ynoate Traditional Name: (E)-2-hydroxy-4-methyl-2-phenyl-hex-3-en-5-ynoic acid (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O)C#C

Isomeric SMILES

C/C(=C\C(C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O)/C#C

InChI

InChI=1S/C21H25NO3/c1-4-15(2)14-21(24,16-8-6-5-7-9-16)20(23)25-19-13-11-17-10-12-18(19)22(17)3/h1,5-9,14,17-19,24H,10-13H2,2-3H3/b15-14+