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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)Br)OC1)NCCC(=O)O

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)Br)OC1)NCCC(=O)O

InChI

InChI=1S/C13H16BrNO3/c14-9-3-4-10-11(15-6-5-13(16)17)2-1-7-18-12(10)8-9/h3-4,8,11,15H,1-2,5-7H2,(H,16,17)