3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl benzoate

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl benzoate Openeye Name: 3-(4-benzyl-1-piperidyl)prop-1-ynyl benzoate CAS Name: benzoic acid 3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl ester IUPAC Name: 3-(4-benzylpiperidin-1-yl)prop-1-ynyl benzoate Traditional Name: benzoic acid 3-(4-benzylpiperidino)prop-1-ynyl ester Formula: C22H23NO2 MolecularWeight: 333.42352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2/c24-22(21-10-5-2-6-11-21)25-17-7-14-23-15-12-20(13-16-23)18-19-8-3-1-4-9-19/h1-6,8-11,20H,12-16,18H2