(4E)-4-(cyanomethylidene)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (4E)-4-(cyanomethylidene)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (4E)-1-tert-butoxycarbonyl-4-(cyanomethylene)pyrrolidine-2-carboxylic acid CAS Name: (4E)-4-(cyanomethylidene)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (4E)-4-(cyanomethylidene)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (4E)-1-tert-butoxycarbonyl-4-(cyanomethylene)proline Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=CC#N)CC1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C/C(=C/C#N)/CC1C(=O)O

InChI

InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-7-8(4-5-13)6-9(14)10(15)16/h4,9H,6-7H2,1-3H3,(H,15,16)/b8-4+