4-(4-butylpiperidin-1-yl)-1-(2,3-dimethylphenyl)butan-1-one

Systemtic Name: 4-(4-butylpiperidin-1-yl)-1-(2,3-dimethylphenyl)butan-1-one Openeye Name: 4-(4-butyl-1-piperidyl)-1-(2,3-dimethylphenyl)butan-1-one CAS Name: 4-(4-butyl-1-piperidinyl)-1-(2,3-dimethylphenyl)-1-butanone IUPAC Name: 4-(4-butylpiperidin-1-yl)-1-(2,3-dimethylphenyl)butan-1-one Traditional Name: 4-(4-butylpiperidino)-1-(2,3-dimethylphenyl)butan-1-one Formula: C21H33NO MolecularWeight: 315.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCN(CC1)CCCC(=O)C2=C(C(=CC=C2)C)C

Isomeric SMILES

CCCCC1CCN(CC1)CCCC(=O)C2=C(C(=CC=C2)C)C

InChI

InChI=1S/C21H33NO/c1-4-5-9-19-12-15-22(16-13-19)14-7-11-21(23)20-10-6-8-17(2)18(20)3/h6,8,10,19H,4-5,7,9,11-16H2,1-3H3