methyl (1R,3S)-3-(4-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S)-3-(4-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S)-3-(4-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S)-3-(4-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-(4-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S)-3-(4-ethynylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H21NO2 MolecularWeight: 283.36484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)C3=CC=C(C=C3)C#C)C(=O)OC

Isomeric SMILES

CN1[C@@H]2CCC1C([C@H](C2)C3=CC=C(C=C3)C#C)C(=O)OC

InChI

InChI=1S/C18H21NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h1,5-8,14-17H,9-11H2,2-3H3/t14-,15-,16?,17?/m1/s1