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

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H22BrFN2O4 MolecularWeight: 465.312783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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