2-(7-bromanyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethanoic acid

Systemtic Name: 2-(7-bromanyl-1,3-benzodioxol-5-yl)-2-morpholin-4-yl-ethanoic acid Openeye Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-morpholino-acetic acid CAS Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-(4-morpholinyl)acetic acid IUPAC Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-morpholin-4-ylacetic acid Traditional Name: 2-(7-bromo-1,3-benzodioxol-5-yl)-2-morpholino-acetic acid Formula: C13H14BrNO5 MolecularWeight: 344.15796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C2=CC3=C(C(=C2)Br)OCO3)C(=O)O

Isomeric SMILES

C1COCCN1C(C2=CC3=C(C(=C2)Br)OCO3)C(=O)O

InChI

InChI=1S/C13H14BrNO5/c14-9-5-8(6-10-12(9)20-7-19-10)11(13(16)17)15-1-3-18-4-2-15/h5-6,11H,1-4,7H2,(H,16,17)