tert-butyl (3S,7aR)-5-oxidanylidene-3-phenyl-3,7a-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylate

Systemtic Name: tert-butyl (3S,7aR)-5-oxidanylidene-3-phenyl-3,7a-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylate Openeye Name: tert-butyl (3S,7aR)-5-oxo-3-phenyl-3,7a-dihydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylate CAS Name: (3S,7aR)-5-oxo-3-phenyl-3,7a-dihydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,7aR)-5-oxo-3-phenyl-3,7a-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylate Traditional Name: (3S,7aR)-5-keto-3-phenyl-3,7a-dihydro-2H-pyrrolo[2,1-b]oxazole-6-carboxylic acid tert-butyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2N(C1=O)C(CO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C[C@@H]2N(C1=O)[C@H](CO2)C3=CC=CC=C3

InChI

InChI=1S/C17H19NO4/c1-17(2,3)22-16(20)12-9-14-18(15(12)19)13(10-21-14)11-7-5-4-6-8-11/h4-9,13-14H,10H2,1-3H3/t13-,14-/m1/s1