3-[7-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoate

Systemtic Name: 3-[7-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoate Openeye Name: 3-[7-[(4-bromo-2-fluoro-phenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxo-1-benzopyran-3-yl]propanoate IUPAC Name: 3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[7-(4-bromo-2-fluoro-benzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionate Formula: C20H15BrFO5- MolecularWeight: 434.232503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)Br)F)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)Br)F)CCC(=O)[O-]

InChI

InChI=1S/C20H16BrFO5/c1-11-15-5-4-14(26-10-12-2-3-13(21)8-17(12)22)9-18(15)27-20(25)16(11)6-7-19(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)/p-1