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

Systemtic Name: 3-[7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methyl-2-oxidanylidene-chromen-3-yl]propanoic acid Openeye Name: 3-[7-[(2-chloro-6-fluoro-phenyl)methoxy]-4-methyl-2-oxo-chromen-3-yl]propanoic acid CAS Name: 3-[7-[(2-chloro-6-fluorophenyl)methoxy]-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[7-[(2-chloro-6-fluorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid Traditional Name: 3-[7-(2-chloro-6-fluoro-benzyl)oxy-2-keto-4-methyl-chromen-3-yl]propionic acid Formula: C20H16ClFO5 MolecularWeight: 390.789443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F)CCC(=O)O

InChI

InChI=1S/C20H16ClFO5/c1-11-13-6-5-12(26-10-15-16(21)3-2-4-17(15)22)9-18(13)27-20(25)14(11)7-8-19(23)24/h2-6,9H,7-8,10H2,1H3,(H,23,24)