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

Systemtic Name: 3-[1-(3-methylbutyl)-3-propyl-pyrrolidin-3-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-(1-isopentyl-3-propyl-pyrrolidin-3-yl)phenol CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[1-(3-methylbutyl)-3-propyl-3-pyrrolidinyl]phenol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[1-(3-methylbutyl)-3-propylpyrrolidin-3-yl]phenol Traditional Name: citric acid; 3-(1-isoamyl-3-propyl-pyrrolidin-3-yl)phenol Formula: C24H37NO8 MolecularWeight: 467.55248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)CCC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC1(CCN(C1)CCC(C)C)C2=CC(=CC=C2)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H29NO.C6H8O7/c1-4-9-18(16-6-5-7-17(20)13-16)10-12-19(14-18)11-8-15(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,13,15,20H,4,8-12,14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)