4-azanyl-4-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid

Systemtic Name: 4-azanyl-4-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid Openeye Name: 4-amino-4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid CAS Name: 4-amino-4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid IUPAC Name: 4-amino-4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid Traditional Name: 4-amino-4-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butyric acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(CCC(=O)O)N)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(CCC(=O)O)N)Br)OC1

InChI

InChI=1S/C13H16BrNO4/c14-9-7-12-11(18-4-1-5-19-12)6-8(9)10(15)2-3-13(16)17/h6-7,10H,1-5,15H2,(H,16,17)