methyl 2-[(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]ethanoate

Systemtic Name: methyl 2-[(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]ethanoate Openeye Name: methyl 2-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]acetate CAS Name: 2-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]acetate Traditional Name: 2-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]acetic acid methyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1CCCOC2=C1C=CC(=C2)Br

Isomeric SMILES

COC(=O)CNC1CCCOC2=C1C=CC(=C2)Br

InChI

InChI=1S/C13H16BrNO3/c1-17-13(16)8-15-11-3-2-6-18-12-7-9(14)4-5-10(11)12/h4-5,7,11,15H,2-3,6,8H2,1H3