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

Systemtic Name: methyl 2-[(5-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butanoate CAS Name: 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methylbutanoate Traditional Name: 2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methyl-butyric acid methyl ester Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4/c1-9(2)13(15(18)19-3)17-8-10-6-11(16)14-12(7-10)20-4-5-21-14/h6-7,9,13,17H,4-5,8H2,1-3H3