[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1CCC(C1)(C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H18ClFN2O3/c22-16-6-3-14(12-24)18(11-16)25-19(26)13-28-20(27)21(9-1-2-10-21)15-4-7-17(23)8-5-15/h3-8,11H,1-2,9-10,13H2,(H,25,26)