1-[(E)-6-oxidanylidenehex-3-enoyl]-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(E)-6-oxidanylidenehex-3-enoyl]-2-phenylmethoxycarbonyl-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-1-[(E)-6-oxohex-3-enoyl]-3-pyrrolidin-1-yl-pyrrolidine-2-carboxylic acid CAS Name: 1-[(E)-1,6-dioxohex-3-enyl]-2-phenylmethoxycarbonyl-3-(1-pyrrolidinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(E)-6-oxohex-3-enoyl]-2-phenylmethoxycarbonyl-3-pyrrolidin-1-ylpyrrolidine-2-carboxylic acid Traditional Name: 2-carbobenzoxy-1-[(E)-6-ketohex-3-enoyl]-3-pyrrolidino-proline Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(C2(C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)CC=CCC=O

Isomeric SMILES

C1CCN(C1)C2CCN(C2(C(=O)O)C(=O)OCC3=CC=CC=C3)C(=O)C/C=C/CC=O

InChI

InChI=1S/C23H28N2O6/c26-16-8-2-5-11-20(27)25-15-12-19(24-13-6-7-14-24)23(25,21(28)29)22(30)31-17-18-9-3-1-4-10-18/h1-5,9-10,16,19H,6-8,11-15,17H2,(H,28,29)/b5-2+