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

Systemtic Name: 3-[1-butyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 3-(1-butyl-3-isobutyl-pyrrolidin-3-yl)phenol; citric acid CAS Name: 3-[1-butyl-3-(2-methylpropyl)-3-pyrrolidinyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-[1-butyl-3-(2-methylpropyl)pyrrolidin-3-yl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-(1-butyl-3-isobutyl-pyrrolidin-3-yl)phenol; citric acid Formula: C24H37NO8 MolecularWeight: 467.55248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCN1CCC(C1)(CC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H29NO.C6H8O7/c1-4-5-10-19-11-9-18(14-19,13-15(2)3)16-7-6-8-17(20)12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,12,15,20H,4-5,9-11,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)