2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)CC(=O)O

Isomeric SMILES

CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)CC(=O)O

InChI

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