(2-methyl-2-pyrrolidin-1-yl-propyl) 2-cyclopentylpentanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (2-methyl-2-pyrrolidin-1-yl-propyl) 2-cyclopentylpentanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; (2-methyl-2-pyrrolidin-1-yl-propyl) 2-cyclopentylpentanoate CAS Name: 2-cyclopentylpentanoic acid [2-methyl-2-(1-pyrrolidinyl)propyl] ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (2-methyl-2-pyrrolidin-1-ylpropyl) 2-cyclopentylpentanoate Traditional Name: citric acid; 2-cyclopentylvaleric acid (2-methyl-2-pyrrolidino-propyl) ester Formula: C24H41NO9 MolecularWeight: 487.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCC1)C(=O)OCC(C)(C)N2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC(C1CCCC1)C(=O)OCC(C)(C)N2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H33NO2.C6H8O7/c1-4-9-16(15-10-5-6-11-15)17(20)21-14-18(2,3)19-12-7-8-13-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h15-16H,4-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)