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

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclopentyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C23H23FN2O5 MolecularWeight: 426.437523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C#N)F)NC(=O)C3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C#N)F)NC(=O)C3CCCC3)OC

InChI

InChI=1S/C23H23FN2O5/c1-29-20-10-17(23(28)31-13-16-8-7-14(12-25)9-18(16)24)19(11-21(20)30-2)26-22(27)15-5-3-4-6-15/h7-11,15H,3-6,13H2,1-2H3,(H,26,27)