3-[5-[2,6-bis(chloranyl)-5-(3-methoxy-3-oxidanylidene-propyl)cyclohexa-1,5-dien-1-yl]-2-cyano-4-fluoranyl-phenyl]-2-chloranyl-propanoic acid

Systemtic Name: 3-[5-[2,6-bis(chloranyl)-5-(3-methoxy-3-oxidanylidene-propyl)cyclohexa-1,5-dien-1-yl]-2-cyano-4-fluoranyl-phenyl]-2-chloranyl-propanoic acid Openeye Name: 2-chloro-3-[2-cyano-5-[2,6-dichloro-5-(3-methoxy-3-oxo-propyl)cyclohexa-1,5-dien-1-yl]-4-fluoro-phenyl]propanoic acid CAS Name: 2-chloro-3-[2-cyano-5-[2,6-dichloro-5-(3-methoxy-3-oxopropyl)-1-cyclohexa-1,5-dienyl]-4-fluorophenyl]propanoic acid IUPAC Name: 2-chloro-3-[2-cyano-5-[2,6-dichloro-5-(3-methoxy-3-oxopropyl)cyclohexa-1,5-dien-1-yl]-4-fluorophenyl]propanoic acid Traditional Name: 2-chloro-3-[2-cyano-5-[2,6-dichloro-5-(3-keto-3-methoxy-propyl)cyclohexa-1,5-dien-1-yl]-4-fluoro-phenyl]propionic acid Formula: C20H17Cl3FNO4 MolecularWeight: 460.710683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C(=C(CC1)Cl)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)C#N)F)Cl

Isomeric SMILES

COC(=O)CCC1=C(C(=C(CC1)Cl)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)C#N)F)Cl

InChI

InChI=1S/C20H17Cl3FNO4/c1-29-17(26)5-3-10-2-4-14(21)18(19(10)23)13-6-11(7-15(22)20(27)28)12(9-25)8-16(13)24/h6,8,15H,2-5,7H2,1H3,(H,27,28)