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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O4/c1-13(2)20(25-21(27)16-7-5-6-14(3)10-16)22(28)29-12-19(26)24-17-9-8-15(4)18(23)11-17/h5-11,13,20H,12H2,1-4H3,(H,24,26)(H,25,27)