3-[7-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid

Systemtic Name: 3-[7-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(4-bromo-2-fluoro-phenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-(4-bromo-2-fluoro-benzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic acid Formula: C21H18BrFO5 MolecularWeight: 449.267023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)Br)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)Br)F)CCC(=O)O

InChI

InChI=1S/C21H18BrFO5/c1-11-15-5-7-18(27-10-13-3-4-14(22)9-17(13)23)12(2)20(15)28-21(26)16(11)6-8-19(24)25/h3-5,7,9H,6,8,10H2,1-2H3,(H,24,25)