(E)-1-(3-azanyl-2H-1,4-benzodioxin-3-yl)-3-[4-(5-bromanylpentoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(3-azanyl-2H-1,4-benzodioxin-3-yl)-3-[4-(5-bromanylpentoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(3-amino-2H-1,4-benzodioxin-3-yl)-3-[4-(5-bromopentoxy)phenyl]prop-2-en-1-one CAS Name: (E)-1-(3-amino-2H-1,4-benzodioxin-3-yl)-3-[4-(5-bromopentoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-amino-2H-1,4-benzodioxin-3-yl)-3-[4-(5-bromopentoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(3-amino-2H-1,4-benzodioxin-3-yl)-3-[4-(5-bromopentoxy)phenyl]prop-2-en-1-one Formula: C22H24BrNO4 MolecularWeight: 446.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)(C(=O)C=CC3=CC=C(C=C3)OCCCCCBr)N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)(C(=O)/C=C/C3=CC=C(C=C3)OCCCCCBr)N

InChI

InChI=1S/C22H24BrNO4/c23-14-4-1-5-15-26-18-11-8-17(9-12-18)10-13-21(25)22(24)16-27-19-6-2-3-7-20(19)28-22/h2-3,6-13H,1,4-5,14-16,24H2/b13-10+