3-methyl-9-phenyl-9-propoxy-3-azabicyclo[3.3.1]nonane; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-methyl-9-phenyl-9-propoxy-3-azabicyclo[3.3.1]nonane; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-methyl-9-phenyl-9-propoxy-3-azabicyclo[3.3.1]nonane CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-methyl-9-phenyl-9-propoxy-3-azabicyclo[3.3.1]nonane IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-methyl-9-phenyl-9-propoxy-3-azabicyclo[3.3.1]nonane Traditional Name: citric acid; 3-methyl-9-phenyl-9-propoxy-3-azabicyclo[3.3.1]nonane Formula: C24H35NO8 MolecularWeight: 465.5366

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2CCCC1CN(C2)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCOC1(C2CCCC1CN(C2)C)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H27NO.C6H8O7/c1-3-12-20-18(15-8-5-4-6-9-15)16-10-7-11-17(18)14-19(2)13-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)