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

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)ethanoic acid Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetic acid CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetic acid IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetic acid Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)acetic acid Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC2=C(C(=C1)Cl)OCCCO2)C(=O)O

Isomeric SMILES

CNC(C1=CC2=C(C(=C1)Cl)OCCCO2)C(=O)O

InChI

InChI=1S/C12H14ClNO4/c1-14-10(12(15)16)7-5-8(13)11-9(6-7)17-3-2-4-18-11/h5-6,10,14H,2-4H2,1H3,(H,15,16)