3-[(4-butylpiperidin-1-yl)methyl]-1-(2-methylphenyl)hexan-1-one

Systemtic Name: 3-[(4-butylpiperidin-1-yl)methyl]-1-(2-methylphenyl)hexan-1-one Openeye Name: 3-[(4-butyl-1-piperidyl)methyl]-1-(o-tolyl)hexan-1-one CAS Name: 3-[(4-butyl-1-piperidinyl)methyl]-1-(2-methylphenyl)-1-hexanone IUPAC Name: 3-[(4-butylpiperidin-1-yl)methyl]-1-(2-methylphenyl)hexan-1-one Traditional Name: 3-[(4-butylpiperidino)methyl]-1-(o-tolyl)hexan-1-one Formula: C23H37NO MolecularWeight: 343.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CC(CCC)CC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCC1CCN(CC1)CC(CCC)CC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C23H37NO/c1-4-6-11-20-13-15-24(16-14-20)18-21(9-5-2)17-23(25)22-12-8-7-10-19(22)3/h7-8,10,12,20-21H,4-6,9,11,13-18H2,1-3H3