ethyl 3-(phenylmethyl)-1-(3-phenylprop-2-ynoyl)piperidine-3-carboxylate

Systemtic Name: ethyl 3-(phenylmethyl)-1-(3-phenylprop-2-ynoyl)piperidine-3-carboxylate Openeye Name: ethyl 3-benzyl-1-(3-phenylprop-2-ynoyl)piperidine-3-carboxylate CAS Name: 1-(1-oxo-3-phenylprop-2-ynyl)-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(3-phenylprop-2-ynoyl)piperidine-3-carboxylate Traditional Name: 3-benzyl-1-(3-phenylpropioloyl)nipecotic acid ethyl ester Formula: C24H25NO3 MolecularWeight: 375.4602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C#CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C#CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H25NO3/c1-2-28-23(27)24(18-21-12-7-4-8-13-21)16-9-17-25(19-24)22(26)15-14-20-10-5-3-6-11-20/h3-8,10-13H,2,9,16-19H2,1H3