tert-butyl (2S)-4-(4-ethanoylphenyl)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(4-ethanoylphenyl)-5-oxidanyl-3-oxidanylidene-2-(phenylmethyl)-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-4-(4-acetylphenyl)-2-benzyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-4-(4-acetylphenyl)-5-hydroxy-3-oxo-2-(phenylmethyl)-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(4-acetylphenyl)-2-benzyl-5-hydroxy-3-oxo-2H-pyrrole-1-carboxylate Traditional Name: (2S)-4-(4-acetylphenyl)-2-benzyl-5-hydroxy-3-keto-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C(N(C(C2=O)CC3=CC=CC=C3)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=C(N([C@H](C2=O)CC3=CC=CC=C3)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C24H25NO5/c1-15(26)17-10-12-18(13-11-17)20-21(27)19(14-16-8-6-5-7-9-16)25(22(20)28)23(29)30-24(2,3)4/h5-13,19,28H,14H2,1-4H3/t19-/m0/s1