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

Systemtic Name: tert-butyl (2S)-2-[(S)-(4-fluorophenyl)-oxidanyl-methyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(S)-(4-fluorophenyl)-hydroxy-methyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-[(S)-(4-fluorophenyl)-hydroxy-methyl]-5-keto-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C16H18FNO4 MolecularWeight: 307.316823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FNO4/c1-16(2,3)22-15(21)18-12(8-9-13(18)19)14(20)10-4-6-11(17)7-5-10/h4-9,12,14,20H,1-3H3/t12-,14-/m0/s1