[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H20ClFO6 MolecularWeight: 422.831303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)C2=C(C=CC(=C2)F)OC)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC)Cl)OC

InChI

InChI=1S/C21H20ClFO6/c1-4-28-19-10-13(9-16(22)21(19)27-3)5-8-20(25)29-12-17(24)15-11-14(23)6-7-18(15)26-2/h5-11H,4,12H2,1-3H3/b8-5+