2-(1-acetamido-2-oxidanylidene-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-(1-acetamido-2-oxidanylidene-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-(1-acetamido-2-oxo-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid CAS Name: 2-(1-acetamido-2-oxopentyl)-5-cyano-3-[(E)-prop-1-enyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-(1-acetamido-2-oxopentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-(1-acetamido-2-keto-pentyl)-5-cyano-3-[(E)-prop-1-enyl]pyrrolidine-1-carboxylic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-4-6-11-8-12(9-17)19(16(22)23)15(11)14(18-10(3)20)13(21)7-5-2/h4,6,11-12,14-15H,5,7-8H2,1-3H3,(H,18,20)(H,22,23)/b6-4+