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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9(7-13(16)17)15-14(18)10-3-4-11-12(8-10)20-6-2-5-19-11/h3-4,8-9H,2,5-7H2,1H3,(H,15,18)(H,16,17)