2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylbutan-2-yl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-ethanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylbutan-2-yl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-ethanoate Openeye Name: citric acid; (1-methyl-2-pyrrolidin-1-yl-propyl) 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-acetate CAS Name: 2-(1-cyclohex-2-enyl)-2-(1-cyclopent-2-enyl)acetic acid 3-(1-pyrrolidinyl)butan-2-yl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-pyrrolidin-1-ylbutan-2-yl 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-ylacetate Traditional Name: citric acid; 2-cyclohex-2-en-1-yl-2-cyclopent-2-en-1-yl-acetic acid (1-methyl-2-pyrrolidino-propyl) ester Formula: C27H41NO9 MolecularWeight: 523.61574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OC(=O)C(C1CCCC=C1)C2CCC=C2)N3CCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C(C)OC(=O)C(C1CCCC=C1)C2CCC=C2)N3CCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H33NO2.C6H8O7/c1-16(22-14-8-9-15-22)17(2)24-21(23)20(19-12-6-7-13-19)18-10-4-3-5-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,6,10,12,16-20H,3,5,7-9,11,13-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)