2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-yl-2-phenyl-ethanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-yl-2-phenyl-ethanoate Openeye Name: citric acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-yl-2-phenyl-acetate CAS Name: 2-(1-cyclopent-2-enyl)-2-phenylacetic acid 2-(1-pyrrolidinyl)ethyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylethyl 2-cyclopent-2-en-1-yl-2-phenylacetate Traditional Name: citric acid; 2-cyclopent-2-en-1-yl-2-phenyl-acetic acid 2-pyrrolidinoethyl ester Formula: C25H33NO9 MolecularWeight: 491.53082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC(=O)C(C2CCC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CCOC(=O)C(C2CCC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H25NO2.C6H8O7/c21-19(22-15-14-20-12-6-7-13-20)18(17-10-4-5-11-17)16-8-2-1-3-9-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-4,8-10,17-18H,5-7,11-15H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)