tert-butyl (2S)-5-oxidanylidene-2-[(S)-oxidanyl(phenyl)methyl]-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-5-oxidanylidene-2-[(S)-oxidanyl(phenyl)methyl]-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(S)-hydroxy(phenyl)methyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-[(S)-hydroxy(phenyl)methyl]-5-keto-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C=CC1=O)C(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C=CC1=O)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO4/c1-16(2,3)21-15(20)17-12(9-10-13(17)18)14(19)11-7-5-4-6-8-11/h4-10,12,14,19H,1-3H3/t12-,14-/m0/s1