2,3-bis(oxidanyl)butanedioic acid; [2,5-dimethyl-4-phenyl-1-(2-piperidin-1-ylethyl)piperidin-4-yl] propanoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; [2,5-dimethyl-4-phenyl-1-(2-piperidin-1-ylethyl)piperidin-4-yl] propanoate Openeye Name: 2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-[2-(1-piperidyl)ethyl]-4-piperidyl] propanoate CAS Name: 2,3-dihydroxybutanedioic acid; propanoic acid [2,5-dimethyl-4-phenyl-1-[2-(1-piperidinyl)ethyl]-4-piperidinyl] ester IUPAC Name: 2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-(2-piperidin-1-ylethyl)piperidin-4-yl] propanoate Traditional Name: propionic acid [2,5-dimethyl-4-phenyl-1-(2-piperidinoethyl)-4-piperidyl] ester; tartaric acid Formula: C31H48N2O14 MolecularWeight: 672.71782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC(N(CC1C)CCN2CCCCC2)C)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCC(=O)OC1(CC(N(CC1C)CCN2CCCCC2)C)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C23H36N2O2.2C4H6O6/c1-4-22(26)27-23(21-11-7-5-8-12-21)17-20(3)25(18-19(23)2)16-15-24-13-9-6-10-14-24;2*5-1(3(7)8)2(6)4(9)10/h5,7-8,11-12,19-20H,4,6,9-10,13-18H2,1-3H3;2*1-2,5-6H,(H,7,8)(H,9,10)