[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-tert-butylbenzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C26H23ClF3NO3 MolecularWeight: 489.91393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C26H23ClF3NO3/c1-25(2,3)18-11-9-17(10-12-18)24(33)34-22(16-7-5-4-6-8-16)23(32)31-21-15-19(26(28,29)30)13-14-20(21)27/h4-15,22H,1-3H3,(H,31,32)