(2S)-4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxo-butanoic acid CAS Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-fluorophenyl)methylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-fluorobenzyl)amino]-4-keto-butyric acid Formula: C21H24FNO3 MolecularWeight: 357.418563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@@H](C(=O)O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO3/c1-21(2,3)16-8-6-15(7-9-16)19(24)12-18(20(25)26)23-13-14-4-10-17(22)11-5-14/h4-11,18,23H,12-13H2,1-3H3,(H,25,26)/t18-/m0/s1