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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopentanecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopentanecarboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21ClFNO3 MolecularWeight: 389.847743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C21H21ClFNO3/c1-14-4-9-17(12-18(14)23)24-19(25)13-27-20(26)21(10-2-3-11-21)15-5-7-16(22)8-6-15/h4-9,12H,2-3,10-11,13H2,1H3,(H,24,25)