3-(3,5-dimethylphenyl)-1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethylphenyl)-1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylphenyl)-1-[3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidyl]propan-1-one CAS Name: 3-(3,5-dimethylphenyl)-1-[3-(hydroxymethyl)-3-(3-phenylpropyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(3,5-dimethylphenyl)-1-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylphenyl)-1-[3-methylol-3-(3-phenylpropyl)piperidino]propan-1-one Formula: C26H35NO2 MolecularWeight: 393.5616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CCC(=O)N2CCCC(C2)(CCCC3=CC=CC=C3)CO)C

Isomeric SMILES

CC1=CC(=CC(=C1)CCC(=O)N2CCCC(C2)(CCCC3=CC=CC=C3)CO)C

InChI

InChI=1S/C26H35NO2/c1-21-16-22(2)18-24(17-21)11-12-25(29)27-15-7-14-26(19-27,20-28)13-6-10-23-8-4-3-5-9-23/h3-5,8-9,16-18,28H,6-7,10-15,19-20H2,1-2H3