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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-3-methyl-butanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-methyl-butanoic acid CAS Name: 2-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-methylbutanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-3-methyl-butyric acid Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-9(2)13(15(18)19)16-14(17)10-4-5-11-12(8-10)21-7-3-6-20-11/h4-5,8-9,13H,3,6-7H2,1-2H3,(H,16,17)(H,18,19)