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

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; [2,5-dimethyl-4-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] propanoate Openeye Name: 2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-(2-pyrrolidin-1-ylethyl)-4-piperidyl] propanoate CAS Name: 2,3-dihydroxybutanedioic acid; propanoic acid [2,5-dimethyl-4-phenyl-1-[2-(1-pyrrolidinyl)ethyl]-4-piperidinyl] ester IUPAC Name: 2,3-dihydroxybutanedioic acid; [2,5-dimethyl-4-phenyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl] propanoate Traditional Name: propionic acid [2,5-dimethyl-4-phenyl-1-(2-pyrrolidinoethyl)-4-piperidyl] ester; tartaric acid Formula: C30H46N2O14 MolecularWeight: 658.69124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC(N(CC1C)CCN2CCCC2)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)CCN2CCCC2)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/C22H34N2O2.2C4H6O6/c1-4-21(25)26-22(20-10-6-5-7-11-20)16-19(3)24(17-18(22)2)15-14-23-12-8-9-13-23;2*5-1(3(7)8)2(6)4(9)10/h5-7,10-11,18-19H,4,8-9,12-17H2,1-3H3;2*1-2,5-6H,(H,7,8)(H,9,10)