2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butyric acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC2=C(C=C1Br)OCCO2

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC2=C(C=C1Br)OCCO2

InChI

InChI=1S/C14H18BrNO4/c1-8(2)13(14(17)18)16-7-9-5-11-12(6-10(9)15)20-4-3-19-11/h5-6,8,13,16H,3-4,7H2,1-2H3,(H,17,18)