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

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

C1COC2=C(C(=CC(=C2)CNCCC(=O)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNCCC(=O)O)Cl)OC1

InChI

InChI=1S/C13H16ClNO4/c14-10-6-9(8-15-3-2-12(16)17)7-11-13(10)19-5-1-4-18-11/h6-7,15H,1-5,8H2,(H,16,17)