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

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)ethanoic acid Openeye Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid IUPAC Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid Formula: C14H16ClNO4 MolecularWeight: 297.73414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(C(=O)O)NC3CC3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(C(=O)O)NC3CC3)Cl)OC1

InChI

InChI=1S/C14H16ClNO4/c15-10-6-8(12(14(17)18)16-9-2-3-9)7-11-13(10)20-5-1-4-19-11/h6-7,9,12,16H,1-5H2,(H,17,18)