2,3-bis(oxidanyl)butanedioate; (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate Openeye Name: 2,3-dihydroxybutanedioate; (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate CAS Name: 2,3-dihydroxybutanedioate; 3-hydroxy-2-phenylpropanoic acid (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: 2,3-dihydroxybutanedioate; (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-ethyl-8-azabicyclo[3.2.1]octan-3-yl) ester tartrate Formula: C22H29NO9-2 MolecularWeight: 451.46696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CCN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C18H25NO3.C4H6O6/c1-2-19-14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;5-1(3(7)8)2(6)4(9)10/h3-7,14-17,20H,2,8-12H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2