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

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

C1COC2=C(C=C(C=C2)C(=O)NCCCC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)NCCCC(=O)O)OC1

InChI

InChI=1S/C14H17NO5/c16-13(17)3-1-6-15-14(18)10-4-5-11-12(9-10)20-8-2-7-19-11/h4-5,9H,1-3,6-8H2,(H,15,18)(H,16,17)