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

Systemtic Name: methyl 3-[(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate Openeye Name: methyl 3-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate CAS Name: 3-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propanoate Traditional Name: 3-[(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]propionic acid methyl ester Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1CCCOC2=C1C=CC(=C2)Br

Isomeric SMILES

COC(=O)CCNC1CCCOC2=C1C=CC(=C2)Br

InChI

InChI=1S/C14H18BrNO3/c1-18-14(17)6-7-16-12-3-2-8-19-13-9-10(15)4-5-11(12)13/h4-5,9,12,16H,2-3,6-8H2,1H3