[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19FN2O3/c22-18-9-2-1-8-17(18)21(10-3-4-11-21)20(26)27-14-19(25)24-16-7-5-6-15(12-16)13-23/h1-2,5-9,12H,3-4,10-11,14H2,(H,24,25)