2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate Openeye Name: citric acid; 2-[2-(1-piperidyl)ethoxy]ethyl 2,2-diphenylcyclopropanecarboxylate CAS Name: 2,2-diphenyl-1-cyclopropanecarboxylic acid 2-[2-(1-piperidinyl)ethoxy]ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate Traditional Name: citric acid; 2,2-diphenylcyclopropanecarboxylic acid 2-(2-piperidinoethoxy)ethyl ester Formula: C31H39NO10 MolecularWeight: 585.64206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C25H31NO3.C6H8O7/c27-24(29-19-18-28-17-16-26-14-8-3-9-15-26)23-20-25(23,21-10-4-1-5-11-21)22-12-6-2-7-13-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,4-7,10-13,23H,3,8-9,14-20H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)