2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)propanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)propanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)propanoic acid CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]propanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)propanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)propionic acid Formula: C13H15NO5 MolecularWeight: 265.2619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H15NO5/c1-8(13(16)17)14-12(15)9-3-4-10-11(7-9)19-6-2-5-18-10/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)(H,16,17)