[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-benzamidobutanoate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C20H18ClF3N2O4 MolecularWeight: 442.81613

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=C(C=CC=C1Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=C(C=CC=C1Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H18ClF3N2O4/c1-12(25-19(29)13-6-3-2-4-7-13)10-17(28)30-11-16(27)26-18-14(20(22,23)24)8-5-9-15(18)21/h2-9,12H,10-11H2,1H3,(H,25,29)(H,26,27)