4-(dimethylamino)-4-phenyl-cyclohexane-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(dimethylamino)-4-phenyl-cyclohexane-1-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 4-(dimethylamino)-4-phenyl-cyclohexanecarboxamide CAS Name: 4-(dimethylamino)-4-phenyl-1-cyclohexanecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(dimethylamino)-4-phenylcyclohexane-1-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 4-(dimethylamino)-4-phenyl-cyclohexanecarboxamide Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)C(=O)N)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)C1(CCC(CC1)C(=O)N)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O.C6H8O7/c1-17(2)15(13-6-4-3-5-7-13)10-8-12(9-11-15)14(16)18;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,12H,8-11H2,1-2H3,(H2,16,18);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)