(E)-3-(2-bromanyl-4-methyl-phenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-[2-(hydroxymethyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4-methylphenyl)-1-[2-(hydroxymethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-1-[2-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-(2-methylolpiperidino)prop-2-en-1-one Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)N2CCCCC2CO)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCCCC2CO)Br

InChI

InChI=1S/C16H20BrNO2/c1-12-5-6-13(15(17)10-12)7-8-16(20)18-9-3-2-4-14(18)11-19/h5-8,10,14,19H,2-4,9,11H2,1H3/b8-7+