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

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1-(2-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(2-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-fluorophenyl)cyclopentanecarboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21BrFNO3 MolecularWeight: 434.298743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=CC=C3F)Br

InChI

InChI=1S/C21H21BrFNO3/c1-14-12-15(8-9-17(14)22)24-19(25)13-27-20(26)21(10-4-5-11-21)16-6-2-3-7-18(16)23/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,25)