(phenylmethyl) (2S)-2-(2-methylpropyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(2-methylpropyl)-5-oxidanyl-3-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: benzyl (2S)-5-hydroxy-2-isobutyl-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-5-hydroxy-2-(2-methylpropyl)-3-oxo-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-hydroxy-2-(2-methylpropyl)-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-5-hydroxy-2-isobutyl-3-keto-2-pyrroline-1-carboxylic acid benzyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)C=C(N1C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)C[C@H]1C(=O)C=C(N1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO4/c1-11(2)8-13-14(18)9-15(19)17(13)16(20)21-10-12-6-4-3-5-7-12/h3-7,9,11,13,19H,8,10H2,1-2H3/t13-/m0/s1