[1-oxidanylidene-1-[[2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl]amino]propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate

Systemtic Name: [1-oxidanylidene-1-[[2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl]amino]propan-2-yl] 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [1-methyl-2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [2-keto-2-[[2-keto-2-(2,3,4-trifluoroanilino)ethyl]amino]-1-methyl-ethyl] ester Formula: C26H21F3N2O5 MolecularWeight: 498.45055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC(C)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C26H21F3N2O5/c1-14-7-9-16(10-8-14)24(33)17-5-3-4-6-18(17)26(35)36-15(2)25(34)30-13-21(32)31-20-12-11-19(27)22(28)23(20)29/h3-12,15H,13H2,1-2H3,(H,30,34)(H,31,32)