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

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H21FINO3 MolecularWeight: 481.299213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FINO3/c1-14-11-17(23)7-8-18(14)24-19(25)13-27-20(26)21(9-2-3-10-21)15-5-4-6-16(22)12-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,25)