1-(2-hexylphenyl)-2-methyl-3-piperidin-1-yl-propan-1-one

Systemtic Name: 1-(2-hexylphenyl)-2-methyl-3-piperidin-1-yl-propan-1-one Openeye Name: 1-(2-hexylphenyl)-2-methyl-3-(1-piperidyl)propan-1-one CAS Name: 1-(2-hexylphenyl)-2-methyl-3-(1-piperidinyl)-1-propanone IUPAC Name: 1-(2-hexylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one Traditional Name: 1-(2-hexylphenyl)-2-methyl-3-piperidino-propan-1-one Formula: C21H33NO MolecularWeight: 315.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C(=O)C(C)CN2CCCCC2

Isomeric SMILES

CCCCCCC1=CC=CC=C1C(=O)C(C)CN2CCCCC2

InChI

InChI=1S/C21H33NO/c1-3-4-5-7-12-19-13-8-9-14-20(19)21(23)18(2)17-22-15-10-6-11-16-22/h8-9,13-14,18H,3-7,10-12,15-17H2,1-2H3