2-oxidanylpropane-1,2,3-tricarboxylic acid; 4-pyrrolidin-1-ylbutyl 2-cyclopentylpentanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 4-pyrrolidin-1-ylbutyl 2-cyclopentylpentanoate Openeye Name: citric acid; 4-pyrrolidin-1-ylbutyl 2-cyclopentylpentanoate CAS Name: 2-cyclopentylpentanoic acid 4-(1-pyrrolidinyl)butyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 4-pyrrolidin-1-ylbutyl 2-cyclopentylpentanoate Traditional Name: citric acid; 2-cyclopentylvaleric acid 4-pyrrolidinobutyl ester Formula: C24H41NO9 MolecularWeight: 487.58364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCC1)C(=O)OCCCCN2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC(C1CCCC1)C(=O)OCCCCN2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H33NO2.C6H8O7/c1-2-9-17(16-10-3-4-11-16)18(20)21-15-8-7-14-19-12-5-6-13-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h16-17H,2-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)