2,3-bis(oxidanyl)butanedioic acid; (1-methylpyrrolidin-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; (1-methylpyrrolidin-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 2,3-dihydroxybutanedioic acid; (1-methylpyrrolidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1-methyl-3-pyrrolidinyl) ester; 2,3-dihydroxybutanedioic acid IUPAC Name: 2,3-dihydroxybutanedioic acid; (1-methylpyrrolidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid (1-methylpyrrolidin-3-yl) ester; tartaric acid Formula: C23H33NO9 MolecularWeight: 467.50942

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CN1CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C19H27NO3.C4H6O6/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16;5-1(3(7)8)2(6)4(9)10/h2,4-5,8-9,16-17,22H,3,6-7,10-14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)