(5-cyano-2-fluoranyl-phenyl)methyl 3-methoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 3-methoxy-4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxo-ethoxy]benzoate CAS Name: 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-(o-anisidino)ethoxy]-3-methoxy-benzoic acid (5-cyano-2-fluoro-benzyl) ester Formula: C25H21FN2O6 MolecularWeight: 464.442443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F)OC

InChI

InChI=1S/C25H21FN2O6/c1-31-21-6-4-3-5-20(21)28-24(29)15-33-22-10-8-17(12-23(22)32-2)25(30)34-14-18-11-16(13-27)7-9-19(18)26/h3-12H,14-15H2,1-2H3,(H,28,29)