(4-cyano-2-fluoranyl-phenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4,5-dimethoxybenzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-(pivaloylamino)benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C22H23FN2O5 MolecularWeight: 414.426823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=C(C=C(C=C2)C#N)F)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC2=C(C=C(C=C2)C#N)F)OC)OC

InChI

InChI=1S/C22H23FN2O5/c1-22(2,3)21(27)25-17-10-19(29-5)18(28-4)9-15(17)20(26)30-12-14-7-6-13(11-24)8-16(14)23/h6-10H,12H2,1-5H3,(H,25,27)