[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2=CC=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C22H25FN2O4/c1-13(2)19(25-21(27)16-11-9-14(3)10-12-16)22(28)29-15(4)20(26)24-18-8-6-5-7-17(18)23/h5-13,15,19H,1-4H3,(H,24,26)(H,25,27)