2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-3,5-dimethyl-phenoxy)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4-bromo-3,5-dimethyl-phenoxy)ethanone CAS Name: 2-(4-bromo-3,5-dimethylphenoxy)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-bromo-3,5-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(4-bromo-3,5-dimethyl-phenoxy)ethanone Formula: C22H26BrNO2 MolecularWeight: 416.35134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26BrNO2/c1-16-12-20(13-17(2)22(16)23)26-15-21(25)24-10-8-19(9-11-24)14-18-6-4-3-5-7-18/h3-7,12-13,19H,8-11,14-15H2,1-2H3