[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-(3-chloro-4-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=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

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

InChI

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