2-[5-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[5-chloro-2-(2-ethoxy-2-oxo-ethoxy)-3-methoxy-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxyphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[5-chloro-2-(2-ethoxy-2-keto-ethoxy)-3-methoxy-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1C(C(=O)O)NC2=CC=C(C=C2)C#N)Cl)OC

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1C(C(=O)O)NC2=CC=C(C=C2)C#N)Cl)OC

InChI

InChI=1S/C20H19ClN2O6/c1-3-28-17(24)11-29-19-15(8-13(21)9-16(19)27-2)18(20(25)26)23-14-6-4-12(10-22)5-7-14/h4-9,18,23H,3,11H2,1-2H3,(H,25,26)