benzoic acid; N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide

Systemtic Name: benzoic acid; N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide Openeye Name: benzoic acid; N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide CAS Name: benzoic acid; N-(3,5-dimethyl-1-adamantyl)-3-pyridinecarboxamide IUPAC Name: benzoic acid; N-(3,5-dimethyl-1-adamantyl)pyridine-3-carboxamide Traditional Name: benzoic acid; N-(3,5-dimethyl-1-adamantyl)nicotinamide Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O.C7H6O2/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;8-7(9)6-4-2-1-3-5-6/h3-5,9,13H,6-8,10-12H2,1-2H3,(H,20,21);1-5H,(H,8,9)