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

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

CC(C(=O)OC)NC1CCCOC2=C1C=CC(=C2)Br

Isomeric SMILES

C[C@@H](C(=O)OC)NC1CCCOC2=C1C=CC(=C2)Br

InChI

InChI=1S/C14H18BrNO3/c1-9(14(17)18-2)16-12-4-3-7-19-13-8-10(15)5-6-11(12)13/h5-6,8-9,12,16H,3-4,7H2,1-2H3/t9-,12?/m0/s1