2-[4-[[5-chloranyl-2-[(4-oxidanylidene-4-pyridin-3-yl-butanoyl)amino]-4-(trifluoromethyl)phenyl]amino]phenyl]ethyl ethanoate

Systemtic Name: 2-[4-[[5-chloranyl-2-[(4-oxidanylidene-4-pyridin-3-yl-butanoyl)amino]-4-(trifluoromethyl)phenyl]amino]phenyl]ethyl ethanoate Openeye Name: 2-[4-[5-chloro-2-[[4-oxo-4-(3-pyridyl)butanoyl]amino]-4-(trifluoromethyl)anilino]phenyl]ethyl acetate CAS Name: acetic acid 2-[4-[5-chloro-2-[[1,4-dioxo-4-(3-pyridinyl)butyl]amino]-4-(trifluoromethyl)anilino]phenyl]ethyl ester IUPAC Name: 2-[4-[5-chloro-2-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]-4-(trifluoromethyl)anilino]phenyl]ethyl acetate Traditional Name: acetic acid 2-[4-[5-chloro-2-[[4-keto-4-(3-pyridyl)butanoyl]amino]-4-(trifluoromethyl)anilino]phenyl]ethyl ester Formula: C26H23ClF3N3O4 MolecularWeight: 533.92673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CC=C(C=C1)NC2=C(C=C(C(=C2)Cl)C(F)(F)F)NC(=O)CCC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(=O)OCCC1=CC=C(C=C1)NC2=C(C=C(C(=C2)Cl)C(F)(F)F)NC(=O)CCC(=O)C3=CN=CC=C3

InChI

InChI=1S/C26H23ClF3N3O4/c1-16(34)37-12-10-17-4-6-19(7-5-17)32-23-14-21(27)20(26(28,29)30)13-22(23)33-25(36)9-8-24(35)18-3-2-11-31-15-18/h2-7,11,13-15,32H,8-10,12H2,1H3,(H,33,36)