1-ethoxycarbonyl-3-(3-phosphonopentan-3-yl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-ethoxycarbonyl-3-(3-phosphonopentan-3-yl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-ethoxycarbonyl-3-(1-ethyl-1-phosphono-propyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-ethoxycarbonyl-3-(3-phosphonopentan-3-yl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-ethoxycarbonyl-3-(3-phosphonopentan-3-yl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-carbethoxy-3-(1-ethyl-1-phosphono-propyl)-3-pyrroline-2-carboxylic acid Formula: C13H22NO7P MolecularWeight: 335.290041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CCN(C1C(=O)O)C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CCN(C1C(=O)O)C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C13H22NO7P/c1-4-13(5-2,22(18,19)20)9-7-8-14(10(9)11(15)16)12(17)21-6-3/h7,10H,4-6,8H2,1-3H3,(H,15,16)(H2,18,19,20)