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

Systemtic Name: methyl 3-azanyl-3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate Openeye Name: methyl 3-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate CAS Name: 3-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid methyl ester IUPAC Name: methyl 3-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate Traditional Name: 3-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propionic acid methyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC2=C(C(=C1)Br)OCCCO2)N

Isomeric SMILES

COC(=O)CC(C1=CC2=C(C(=C1)Br)OCCCO2)N

InChI

InChI=1S/C13H16BrNO4/c1-17-12(16)7-10(15)8-5-9(14)13-11(6-8)18-3-2-4-19-13/h5-6,10H,2-4,7,15H2,1H3