N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide CAS Name: N-(3,5-dimethyl-1-adamantyl)-3-pyridinecarboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; N-(3,5-dimethyl-1-adamantyl)nicotinamide Formula: C24H32N2O8 MolecularWeight: 476.51948

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CN=CC=C4)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CN=CC=C4)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O.C6H8O7/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,20,21);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)