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

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-[3-(hydroxymethyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(2-bromo-4-methylphenyl)-1-[3-(hydroxymethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-1-(3-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)N2CCCC(C2)CO)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N2CCCC(C2)CO)Br

InChI

InChI=1S/C16H20BrNO2/c1-12-4-5-14(15(17)9-12)6-7-16(20)18-8-2-3-13(10-18)11-19/h4-7,9,13,19H,2-3,8,10-11H2,1H3/b7-6+