3-tert-butyl-1-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)aziridine-2-carboxylic acid

Systemtic Name: 3-tert-butyl-1-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)aziridine-2-carboxylic acid Openeye Name: 1-(1-benzyl-2-hydroxy-2-oxo-ethyl)-3-tert-butyl-aziridine-2-carboxylic acid CAS Name: 3-tert-butyl-1-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-2-aziridinecarboxylic acid IUPAC Name: 3-tert-butyl-1-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)aziridine-2-carboxylic acid Traditional Name: 1-(1-benzyl-2-hydroxy-2-keto-ethyl)-3-tert-butyl-ethylenimine-2-carboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C(N1C(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1C(N1C(CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-16(2,3)13-12(15(20)21)17(13)11(14(18)19)9-10-7-5-4-6-8-10/h4-8,11-13H,9H2,1-3H3,(H,18,19)(H,20,21)