(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C=C1Br)OCCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC2=C(C=C1Br)OCCO2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H20BrNO6/c1-11(2)17(21-18(22)14-4-3-5-24-14)19(23)27-10-12-8-15-16(9-13(12)20)26-7-6-25-15/h3-5,8-9,11,17H,6-7,10H2,1-2H3,(H,21,22)