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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCC1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

COC(=O)CNCC1=CC2=C(C(=C1)Cl)OCCCO2

InChI

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