2-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanoic acid

Systemtic Name: 2-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]ethanoic acid Openeye Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]acetic acid CAS Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]acetic acid IUPAC Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]acetic acid Traditional Name: 2-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]acetic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNCC(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCC(=O)O)Br)OC1

InChI

InChI=1S/C12H14BrNO4/c13-9-4-8(6-14-7-11(15)16)5-10-12(9)18-3-1-2-17-10/h4-5,14H,1-3,6-7H2,(H,15,16)