5-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)pentan-1-one

Systemtic Name: 5-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)pentan-1-one Openeye Name: 5-(4-butyl-1-piperidyl)-1-(o-tolyl)pentan-1-one CAS Name: 5-(4-butyl-1-piperidinyl)-1-(2-methylphenyl)-1-pentanone IUPAC Name: 5-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)pentan-1-one Traditional Name: 5-(4-butylpiperidino)-1-(o-tolyl)pentan-1-one Formula: C21H33NO MolecularWeight: 315.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO/c1-3-4-10-19-13-16-22(17-14-19)15-8-7-12-21(23)20-11-6-5-9-18(20)2/h5-6,9,11,19H,3-4,7-8,10,12-17H2,1-2H3