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

Systemtic Name: (E)-3-(5-bromanylfuran-2-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-furyl)-1-[3-(hydroxymethyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-furanyl)-1-[3-(hydroxymethyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromofuran-2-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-furyl)-1-(3-methylolpiperidino)prop-2-en-1-one Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C=CC2=CC=C(O2)Br)CO

Isomeric SMILES

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(O2)Br)CO

InChI

InChI=1S/C13H16BrNO3/c14-12-5-3-11(18-12)4-6-13(17)15-7-1-2-10(8-15)9-16/h3-6,10,16H,1-2,7-9H2/b6-4+