[2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-2-ethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2-ethyl-anilino)-2-oxo-ethyl] 4-(4-fluoroanilino)-4-oxo-butanoate CAS Name: 4-(4-fluoroanilino)-4-oxobutanoic acid [2-(4-bromo-2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-ethylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate Traditional Name: 4-(4-fluoroanilino)-4-keto-butyric acid [2-(4-bromo-2-ethyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C20H20BrFN2O4/c1-2-13-11-14(21)3-8-17(13)24-19(26)12-28-20(27)10-9-18(25)23-16-6-4-15(22)5-7-16/h3-8,11H,2,9-10,12H2,1H3,(H,23,25)(H,24,26)