tert-butyl (2S)-2-[(S)-(4-cyanophenyl)-oxidanyl-methyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(S)-(4-cyanophenyl)-oxidanyl-methyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(S)-(4-cyanophenyl)-hydroxy-methyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-[(S)-(4-cyanophenyl)-hydroxymethyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(S)-(4-cyanophenyl)-hydroxymethyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-[(S)-(4-cyanophenyl)-hydroxy-methyl]-5-keto-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-17(2,3)23-16(22)19-13(8-9-14(19)20)15(21)12-6-4-11(10-18)5-7-12/h4-9,13,15,21H,1-3H3/t13-,15-/m0/s1