3-[7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid

Systemtic Name: 3-[7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(2-chloro-6-fluoro-phenyl)methoxy]-4,8-dimethyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(2-chloro-6-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(2-chloro-6-fluorophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-(2-chloro-6-fluoro-benzyl)oxy-2-keto-4,8-dimethyl-chromen-3-yl]propionic acid Formula: C21H18ClFO5 MolecularWeight: 404.816023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)F)CCC(=O)O

InChI

InChI=1S/C21H18ClFO5/c1-11-13-6-8-18(27-10-15-16(22)4-3-5-17(15)23)12(2)20(13)28-21(26)14(11)7-9-19(24)25/h3-6,8H,7,9-10H2,1-2H3,(H,24,25)