[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H18BrF2NO3 MolecularWeight: 438.262626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2F)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H18BrF2NO3/c21-13-7-8-17(16(23)11-13)24-18(25)12-27-19(26)20(9-3-4-10-20)14-5-1-2-6-15(14)22/h1-2,5-8,11H,3-4,9-10,12H2,(H,24,25)