2-oxidanylpropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-chloranyl-2-ethoxy-phenyl)-3-methyl-pentanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-chloranyl-2-ethoxy-phenyl)-3-methyl-pentanoate Openeye Name: citric acid; (1-isopropylpyrrolidin-3-yl) 2-(5-chloro-2-ethoxy-phenyl)-3-methyl-pentanoate CAS Name: 2-(5-chloro-2-ethoxyphenyl)-3-methylpentanoic acid (1-propan-2-yl-3-pyrrolidinyl) ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-chloro-2-ethoxyphenyl)-3-methylpentanoate Traditional Name: 2-(5-chloro-2-ethoxy-phenyl)-3-methyl-valeric acid (1-isopropylpyrrolidin-3-yl) ester; citric acid Formula: C27H40ClNO10 MolecularWeight: 574.0602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=C(C=CC(=C1)Cl)OCC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(C)C(C1=C(C=CC(=C1)Cl)OCC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H32ClNO3.C6H8O7/c1-6-15(5)20(18-12-16(22)8-9-19(18)25-7-2)21(24)26-17-10-11-23(13-17)14(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12,14-15,17,20H,6-7,10-11,13H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)