3-diethoxyphosphoryl-4-ethoxycarbonyl-8-imidazol-1-yl-octanoic acid

Systemtic Name: 3-diethoxyphosphoryl-4-ethoxycarbonyl-8-imidazol-1-yl-octanoic acid Openeye Name: 3-diethoxyphosphoryl-4-ethoxycarbonyl-8-imidazol-1-yl-octanoic acid CAS Name: 3-diethoxyphosphoryl-4-ethoxycarbonyl-8-(1-imidazolyl)octanoic acid IUPAC Name: 3-diethoxyphosphoryl-4-ethoxycarbonyl-8-imidazol-1-yloctanoic acid Traditional Name: 4-carbethoxy-3-diethoxyphosphoryl-8-imidazol-1-yl-caprylic acid Formula: C18H31N2O7P MolecularWeight: 418.421701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCN1C=CN=C1)C(CC(=O)O)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(CCCCN1C=CN=C1)C(CC(=O)O)P(=O)(OCC)OCC

InChI

InChI=1S/C18H31N2O7P/c1-4-25-18(23)15(9-7-8-11-20-12-10-19-14-20)16(13-17(21)22)28(24,26-5-2)27-6-3/h10,12,14-16H,4-9,11,13H2,1-3H3,(H,21,22)