(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[3-(hydroxymethyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[3-(hydroxymethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(3-methylolpiperidino)prop-2-en-1-one Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)N2CCCC(C2)CO

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N2CCCC(C2)CO

InChI

InChI=1S/C16H20BrNO3/c1-21-15-6-5-14(17)9-13(15)4-7-16(20)18-8-2-3-12(10-18)11-19/h4-7,9,12,19H,2-3,8,10-11H2,1H3/b7-4+