[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-fluorophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 5-(4-fluoroanilino)-5-oxo-pentanoate CAS Name: 5-(4-fluoroanilino)-5-oxopentanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate Traditional Name: 5-(4-fluoroanilino)-5-keto-valeric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrFN2O4 MolecularWeight: 451.286203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)F)Br

InChI

InChI=1S/C20H20BrFN2O4/c1-13-11-16(9-10-17(13)21)24-19(26)12-28-20(27)4-2-3-18(25)23-15-7-5-14(22)6-8-15/h5-11H,2-4,12H2,1H3,(H,23,25)(H,24,26)