5-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-3-iodanyl-2-methyl-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-3-iodanyl-2-methyl-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-6-methyl-benzamide CAS Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyanomethyl]-3-(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-6-methylbenzamide IUPAC Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyanomethyl]-3-(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-6-methylbenzamide Traditional Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-6-methyl-benzamide Formula: C27H23ClF3IN2O2 MolecularWeight: 626.8364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=C(C=C3)Cl)C(F)(F)F)O)C(C)(C)C)I

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=C(C=C3)Cl)C(F)(F)F)O)C(C)(C)C)I

InChI

InChI=1S/C27H23ClF3IN2O2/c1-14-22(32)12-21(26(2,3)4)24(35)23(14)25(36)34-17-9-10-18(20(11-17)27(29,30)31)19(13-33)15-5-7-16(28)8-6-15/h5-12,19,35H,1-4H3,(H,34,36)