tert-butyl (2R)-2-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[(3S)-1-(3-phenylprop-2-ynoyl)-3-piperidyl]piperidine-1-carboxylate CAS Name: (2R)-2-[(3S)-1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(3S)-1-(3-phenylprop-2-ynoyl)piperidin-3-yl]piperidine-1-carboxylate Traditional Name: (2R)-2-[(3S)-1-(3-phenylpropioloyl)-3-piperidyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C2CCCN(C2)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]2CCCN(C2)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-24(2,3)29-23(28)26-17-8-7-13-21(26)20-12-9-16-25(18-20)22(27)15-14-19-10-5-4-6-11-19/h4-6,10-11,20-21H,7-9,12-13,16-18H2,1-3H3/t20-,21+/m0/s1