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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoranyl-2-methoxy-phenyl)-3-methyl-pentanoate Openeye Name: citric acid; (1-isopropylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxy-phenyl)-3-methyl-pentanoate CAS Name: 2-(5-fluoro-2-methoxyphenyl)-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-fluoro-2-methoxyphenyl)-3-methylpentanoate Traditional Name: citric acid; 2-(5-fluoro-2-methoxy-phenyl)-3-methyl-valeric acid (1-isopropylpyrrolidin-3-yl) ester Formula: C26H38FNO10 MolecularWeight: 543.579023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=C(C=CC(=C1)F)OC)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)F)OC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H30FNO3.C6H8O7/c1-6-14(4)19(17-11-15(21)7-8-18(17)24-5)20(23)25-16-9-10-22(12-16)13(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-8,11,13-14,16,19H,6,9-10,12H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)