(2S,4R)-4-(4-cyano-2-methoxy-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-(4-cyano-2-methoxy-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-tert-butoxycarbonyl-4-(4-cyano-2-methoxy-phenoxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-(4-cyano-2-methoxyphenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(4-cyano-2-methoxyphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-tert-butoxycarbonyl-4-(4-cyano-2-methoxy-phenoxy)proline Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=C(C=C(C=C2)C#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)OC2=C(C=C(C=C2)C#N)OC

InChI

InChI=1S/C18H22N2O6/c1-18(2,3)26-17(23)20-10-12(8-13(20)16(21)22)25-14-6-5-11(9-19)7-15(14)24-4/h5-7,12-13H,8,10H2,1-4H3,(H,21,22)/t12-,13+/m1/s1