[1-[(3-ethoxy-4-octoxy-phenyl)methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid

Systemtic Name: [1-[(3-ethoxy-4-octoxy-phenyl)methyl]-3-oxidanyl-pyrrolidin-3-yl]phosphonic acid Openeye Name: [1-[(3-ethoxy-4-octoxy-phenyl)methyl]-3-hydroxy-pyrrolidin-3-yl]phosphonic acid CAS Name: [1-[(3-ethoxy-4-octoxyphenyl)methyl]-3-hydroxy-3-pyrrolidinyl]phosphonic acid IUPAC Name: [1-[(3-ethoxy-4-octoxyphenyl)methyl]-3-hydroxypyrrolidin-3-yl]phosphonic acid Traditional Name: [1-(3-ethoxy-4-octoxy-benzyl)-3-hydroxy-pyrrolidin-3-yl]phosphonic acid Formula: C21H36NO6P MolecularWeight: 429.487401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)(O)P(=O)(O)O)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)(O)P(=O)(O)O)OCC

InChI

InChI=1S/C21H36NO6P/c1-3-5-6-7-8-9-14-28-19-11-10-18(15-20(19)27-4-2)16-22-13-12-21(23,17-22)29(24,25)26/h10-11,15,23H,3-9,12-14,16-17H2,1-2H3,(H2,24,25,26)