1-bromanyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-one

Systemtic Name: 1-bromanyl-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-one Openeye Name: 1-bromo-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-one CAS Name: 1-bromo-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propanone IUPAC Name: 1-bromo-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-one Traditional Name: 1-bromo-3-(homoveratrylamino)acetone Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(=O)CBr)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(=O)CBr)OC

InChI

InChI=1S/C13H18BrNO3/c1-17-12-4-3-10(7-13(12)18-2)5-6-15-9-11(16)8-14/h3-4,7,15H,5-6,8-9H2,1-2H3