methyl (3R,7aS)-3-tert-butyl-7-(cyanomethyl)-5-oxidanylidene-6-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate

Systemtic Name: methyl (3R,7aS)-3-tert-butyl-7-(cyanomethyl)-5-oxidanylidene-6-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate Openeye Name: methyl (3R,7aS)-3-tert-butyl-7-(cyanomethyl)-5-oxo-6-phenyl-1,3-dihydropyrrolo[1,2-c]oxazole-7a-carboxylate CAS Name: (3R,7aS)-3-tert-butyl-7-(cyanomethyl)-5-oxo-6-phenyl-1,3-dihydropyrrolo[1,2-c]oxazole-7a-carboxylic acid methyl ester IUPAC Name: methyl (3R,7aS)-3-tert-butyl-7-(cyanomethyl)-5-oxo-6-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]oxazole-7a-carboxylate Traditional Name: (3R,7aS)-3-tert-butyl-7-(cyanomethyl)-5-keto-6-phenyl-1,3-dihydropyrrolo[1,2-c]oxazole-7a-carboxylic acid methyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N2C(=O)C(=C(C2(CO1)C(=O)OC)CC#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[C@@H]1N2C(=O)C(=C([C@]2(CO1)C(=O)OC)CC#N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4/c1-19(2,3)17-22-16(23)15(13-8-6-5-7-9-13)14(10-11-21)20(22,12-26-17)18(24)25-4/h5-9,17H,10,12H2,1-4H3/t17-,20-/m1/s1