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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-3-oxidanyl-butanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-hydroxy-butanoic acid CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-hydroxybutanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-3-hydroxy-butyric acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-8(16)12(14(18)19)15-13(17)9-3-4-10-11(7-9)21-6-2-5-20-10/h3-4,7-8,12,16H,2,5-6H2,1H3,(H,15,17)(H,18,19)