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

Systemtic Name: 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane Traditional Name: citric acid; 9-methoxy-9-phenyl-3-azabicyclo[3.3.1]nonane Formula: C21H29NO8 MolecularWeight: 423.45686

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2CCCC1CNC2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1(C2CCCC1CNC2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H21NO.C6H8O7/c1-17-15(12-6-3-2-4-7-12)13-8-5-9-14(15)11-16-10-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,6-7,13-14,16H,5,8-11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)