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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)butanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)butanoic acid CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]butanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)butanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)butyric acid Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-2-10(14(17)18)15-13(16)9-4-5-11-12(8-9)20-7-3-6-19-11/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)