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

Systemtic Name: 2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)ethanoic acid Openeye Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid CAS Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid IUPAC Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid Traditional Name: 2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(cyclopropylamino)acetic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO4/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)