methyl 2-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-propanoate Openeye Name: methyl 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-propanoate CAS Name: 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methylpropanoate Traditional Name: 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-2-methyl-propionic acid methyl ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NCC1=CC2=C(C(=C1)Br)OCCO2

Isomeric SMILES

CC(C)(C(=O)OC)NCC1=CC2=C(C(=C1)Br)OCCO2

InChI

InChI=1S/C14H18BrNO4/c1-14(2,13(17)18-3)16-8-9-6-10(15)12-11(7-9)19-4-5-20-12/h6-7,16H,4-5,8H2,1-3H3