tert-butyl (2S)-5-oxidanylidene-2-[(1S)-1-oxidanyltridecyl]-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-5-oxidanylidene-2-[(1S)-1-oxidanyltridecyl]-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1S)-1-hydroxytridecyl]-5-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-2-[(1S)-1-hydroxytridecyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1S)-1-hydroxytridecyl]-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-[(1S)-1-hydroxytridecyl]-5-keto-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C22H39NO4 MolecularWeight: 381.54936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1C=CC(=O)N1C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCC[C@@H]([C@@H]1C=CC(=O)N1C(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-19(24)18-16-17-20(25)23(18)21(26)27-22(2,3)4/h16-19,24H,5-15H2,1-4H3/t18-,19-/m0/s1