methyl 2-oxidanyl-4-oxidanylidene-4-[(phenylmethyl)amino]-2-(trifluoromethyl)butanoate

Systemtic Name: methyl 2-oxidanyl-4-oxidanylidene-4-[(phenylmethyl)amino]-2-(trifluoromethyl)butanoate Openeye Name: methyl 4-(benzylamino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate CAS Name: 2-hydroxy-4-oxo-4-[(phenylmethyl)amino]-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: 4-(benzylamino)-2-hydroxy-4-keto-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)NCC1=CC=CC=C1)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(CC(=O)NCC1=CC=CC=C1)(C(F)(F)F)O

InChI

InChI=1S/C13H14F3NO4/c1-21-11(19)12(20,13(14,15)16)7-10(18)17-8-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H,17,18)