1-[(2Z,4E)-2,5-dimethyl-6-oxidanylidene-6-(2-phenylmethoxycarbonylpyrrolidin-1-yl)hexa-2,4-dienoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2Z,4E)-2,5-dimethyl-6-oxidanylidene-6-(2-phenylmethoxycarbonylpyrrolidin-1-yl)hexa-2,4-dienoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2Z,4E)-6-(2-benzyloxycarbonylpyrrolidin-1-yl)-2,5-dimethyl-6-oxo-hexa-2,4-dienoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2Z,4E)-2,5-dimethyl-1,6-dioxo-6-(2-phenylmethoxycarbonyl-1-pyrrolidinyl)hexa-2,4-dienyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2Z,4E)-2,5-dimethyl-6-oxo-6-(2-phenylmethoxycarbonylpyrrolidin-1-yl)hexa-2,4-dienoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2Z,4E)-6-(2-carbobenzoxypyrrolidino)-6-keto-2,5-dimethyl-hexa-2,4-dienoyl]proline Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(C)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

C/C(=C/C=C(\C)/C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)/C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C25H30N2O6/c1-17(22(28)26-14-6-10-20(26)24(30)31)12-13-18(2)23(29)27-15-7-11-21(27)25(32)33-16-19-8-4-3-5-9-19/h3-5,8-9,12-13,20-21H,6-7,10-11,14-16H2,1-2H3,(H,30,31)/b17-12-,18-13+