2-methyl-1-(4-octylphenyl)-3-piperidin-1-yl-propan-1-one

Systemtic Name: 2-methyl-1-(4-octylphenyl)-3-piperidin-1-yl-propan-1-one Openeye Name: 2-methyl-1-(4-octylphenyl)-3-(1-piperidyl)propan-1-one CAS Name: 2-methyl-1-(4-octylphenyl)-3-(1-piperidinyl)-1-propanone IUPAC Name: 2-methyl-1-(4-octylphenyl)-3-piperidin-1-ylpropan-1-one Traditional Name: 2-methyl-1-(4-octylphenyl)-3-piperidino-propan-1-one Formula: C23H37NO MolecularWeight: 343.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2

InChI

InChI=1S/C23H37NO/c1-3-4-5-6-7-9-12-21-13-15-22(16-14-21)23(25)20(2)19-24-17-10-8-11-18-24/h13-16,20H,3-12,17-19H2,1-2H3