tert-butyl 2-[(E,1R,2R)-2-methyl-1-oxidanyl-3-oxidanylidene-5-phenyl-pent-4-enyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E,1R,2R)-2-methyl-1-oxidanyl-3-oxidanylidene-5-phenyl-pent-4-enyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E,1R,2R)-1-hydroxy-2-methyl-3-oxo-5-phenyl-pent-4-enyl]pyrrole-1-carboxylate CAS Name: 2-[(E,1R,2R)-1-hydroxy-2-methyl-3-oxo-5-phenylpent-4-enyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E,1R,2R)-1-hydroxy-2-methyl-3-oxo-5-phenylpent-4-enyl]pyrrole-1-carboxylate Traditional Name: 2-[(E,1R,2R)-1-hydroxy-3-keto-2-methyl-5-phenyl-pent-4-enyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CN1C(=O)OC(C)(C)C)O)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@H](C1=CC=CN1C(=O)OC(C)(C)C)O)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-15(18(23)13-12-16-9-6-5-7-10-16)19(24)17-11-8-14-22(17)20(25)26-21(2,3)4/h5-15,19,24H,1-4H3/b13-12+/t15-,19+/m0/s1