2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoic acid

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoic acid Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoic acid CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoic acid IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propanoic acid Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]propionic acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C(=O)O)NCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C13H16ClNO4/c1-8(13(16)17)15-7-9-5-10(14)12-11(6-9)18-3-2-4-19-12/h5-6,8,15H,2-4,7H2,1H3,(H,16,17)