tert-butyl 2-(1-acetamido-2-oxidanyl-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(1-acetamido-2-oxidanyl-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(1-acetamido-2-hydroxy-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate CAS Name: 2-(1-acetamido-2-hydroxypentyl)-5-cyano-3-[(E)-prop-1-enyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-acetamido-2-hydroxypentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate Traditional Name: 2-(1-acetamido-2-hydroxy-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H33N3O4 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1C(CC(N1C(=O)OC(C)(C)C)C#N)C=CC)NC(=O)C)O

Isomeric SMILES

CCCC(C(C1C(CC(N1C(=O)OC(C)(C)C)C#N)/C=C/C)NC(=O)C)O

InChI

InChI=1S/C20H33N3O4/c1-7-9-14-11-15(12-21)23(19(26)27-20(4,5)6)18(14)17(22-13(3)24)16(25)10-8-2/h7,9,14-18,25H,8,10-11H2,1-6H3,(H,22,24)/b9-7+