ethyl 3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)-2-[(3-methylphenyl)amino]propanoate

Systemtic Name: ethyl 3,3,3-tris(fluoranyl)-2-(3-methylbutanoylamino)-2-[(3-methylphenyl)amino]propanoate Openeye Name: ethyl 3,3,3-trifluoro-2-(3-methylanilino)-2-(3-methylbutanoylamino)propanoate CAS Name: 3,3,3-trifluoro-2-(3-methylanilino)-2-[(3-methyl-1-oxobutyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3,3,3-trifluoro-2-(3-methylanilino)-2-(3-methylbutanoylamino)propanoate Traditional Name: 3,3,3-trifluoro-2-(isovalerylamino)-2-(m-toluidino)propionic acid ethyl ester Formula: C17H23F3N2O3 MolecularWeight: 360.37133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C)NC(=O)CC(C)C

InChI

InChI=1S/C17H23F3N2O3/c1-5-25-15(24)16(17(18,19)20,22-14(23)9-11(2)3)21-13-8-6-7-12(4)10-13/h6-8,10-11,21H,5,9H2,1-4H3,(H,22,23)