azanyl 5-acetamido-3-pentan-3-yloxy-cyclohexene-1-carboxylate phosphate

Systemtic Name: azanyl 5-acetamido-3-pentan-3-yloxy-cyclohexene-1-carboxylate phosphate Openeye Name: amino 5-acetamido-3-(1-ethylpropoxy)cyclohexene-1-carboxylate phosphate CAS Name: 5-acetamido-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid amino ester phosphate IUPAC Name: amino 5-acetamido-3-pentan-3-yloxycyclohexene-1-carboxylate phosphate Traditional Name: 5-acetamido-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid amino ester phosphate Formula: C14H24N2O8P-3 MolecularWeight: 379.322721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1CC(CC(=C1)C(=O)ON)NC(=O)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC)OC1CC(CC(=C1)C(=O)ON)NC(=O)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C14H24N2O4.H3O4P/c1-4-12(5-2)19-13-7-10(14(18)20-15)6-11(8-13)16-9(3)17;1-5(2,3)4/h7,11-13H,4-6,8,15H2,1-3H3,(H,16,17);(H3,1,2,3,4)/p-3