3-[3-(2-methylpropyl)-1-pentyl-pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[3-(2-methylpropyl)-1-pentyl-pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(3-isobutyl-1-pentyl-pyrrolidin-3-yl)phenol CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[3-(2-methylpropyl)-1-pentyl-3-pyrrolidinyl]phenol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[3-(2-methylpropyl)-1-pentylpyrrolidin-3-yl]phenol Traditional Name: 3-(1-amyl-3-isobutyl-pyrrolidin-3-yl)phenol; citric acid Formula: C25H39NO8 MolecularWeight: 481.57906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H31NO.C6H8O7/c1-4-5-6-11-20-12-10-19(15-20,14-16(2)3)17-8-7-9-18(21)13-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,13,16,21H,4-6,10-12,14-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)