methyl 3-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoate

Systemtic Name: methyl 3-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoate Openeye Name: methyl 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoate CAS Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoate Traditional Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propionic acid methyl ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCC1=CC2=C(C(=C1)Br)OCCCO2

Isomeric SMILES

COC(=O)CCNCC1=CC2=C(C(=C1)Br)OCCCO2

InChI

InChI=1S/C14H18BrNO4/c1-18-13(17)3-4-16-9-10-7-11(15)14-12(8-10)19-5-2-6-20-14/h7-8,16H,2-6,9H2,1H3