[(E)-3-[1,2-bis(ethoxycarbonyl)pyrrolidin-3-yl]oct-4-en-3-yl]phosphonic acid

Systemtic Name: [(E)-3-[1,2-bis(ethoxycarbonyl)pyrrolidin-3-yl]oct-4-en-3-yl]phosphonic acid Openeye Name: [(E)-1-[1,2-bis(ethoxycarbonyl)pyrrolidin-3-yl]-1-ethyl-hex-2-enyl]phosphonic acid CAS Name: [(E)-3-[1,2-bis(ethoxycarbonyl)-3-pyrrolidinyl]oct-4-en-3-yl]phosphonic acid IUPAC Name: [(E)-3-[1,2-bis(ethoxycarbonyl)pyrrolidin-3-yl]oct-4-en-3-yl]phosphonic acid Traditional Name: [(E)-1-(1,2-dicarbethoxypyrrolidin-3-yl)-1-ethyl-hex-2-enyl]phosphonic acid Formula: C18H32NO7P MolecularWeight: 405.422941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(CC)(C1CCN(C1C(=O)OCC)C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCC/C=C/C(CC)(C1CCN(C1C(=O)OCC)C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C18H32NO7P/c1-5-9-10-12-18(6-2,27(22,23)24)14-11-13-19(17(21)26-8-4)15(14)16(20)25-7-3/h10,12,14-15H,5-9,11,13H2,1-4H3,(H2,22,23,24)/b12-10+