[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22BrFN2O4 MolecularWeight: 465.312783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2F)Br

InChI

InChI=1S/C21H22BrFN2O4/c1-12(2)19(25-20(27)14-6-4-5-7-16(14)23)21(28)29-11-18(26)24-17-9-8-13(3)10-15(17)22/h4-10,12,19H,11H2,1-3H3,(H,24,26)(H,25,27)