4-[4-(phenylmethyl)piperidin-1-yl]but-2-ynyl benzoate

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-yl]but-2-ynyl benzoate Openeye Name: 4-(4-benzyl-1-piperidyl)but-2-ynyl benzoate CAS Name: benzoic acid 4-[4-(phenylmethyl)-1-piperidinyl]but-2-ynyl ester IUPAC Name: 4-(4-benzylpiperidin-1-yl)but-2-ynyl benzoate Traditional Name: benzoic acid 4-(4-benzylpiperidino)but-2-ynyl ester Formula: C23H25NO2 MolecularWeight: 347.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC#CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC#CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO2/c25-23(22-11-5-2-6-12-22)26-18-8-7-15-24-16-13-21(14-17-24)19-20-9-3-1-4-10-20/h1-6,9-12,21H,13-19H2