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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-(2-pyrrolidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate Openeye Name: citric acid; 2-(2-pyrrolidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropanecarboxylate CAS Name: 2,2-diphenyl-1-cyclopropanecarboxylic acid 2-[2-(1-pyrrolidinyl)ethoxy]ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(2-pyrrolidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate Traditional Name: citric acid; 2,2-diphenylcyclopropanecarboxylic acid 2-(2-pyrrolidinoethoxy)ethyl ester Formula: C30H37NO10 MolecularWeight: 571.61548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C24H29NO3.C6H8O7/c26-23(28-18-17-27-16-15-25-13-7-8-14-25)22-19-24(22,20-9-3-1-4-10-20)21-11-5-2-6-12-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6,9-12,22H,7-8,13-19H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)