(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(2,3-dihydrobenzofuran-5-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2,3-dihydrobenzofuran-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-coumaran-5-yl-prop-2-en-1-one Formula: C18H15BrO4 MolecularWeight: 375.2133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC3)Br)O

InChI

InChI=1S/C18H15BrO4/c1-22-17-9-11(8-14(19)18(17)21)2-4-15(20)12-3-5-16-13(10-12)6-7-23-16/h2-5,8-10,21H,6-7H2,1H3/b4-2+