pyridine-3-carboxylic acid; 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide

Systemtic Name: pyridine-3-carboxylic acid; 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide Openeye Name: nicotinic acid; 1,1,4,4-tetramethyltetralin-6-carboxamide CAS Name: 3-pyridinecarboxylic acid; 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide IUPAC Name: pyridine-3-carboxylic acid; 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide Traditional Name: nicotinic acid; 1,1,4,4-tetramethyltetralin-6-carboxamide Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(=O)N)(C)C)C.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(=O)N)(C)C)C.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C15H21NO.C6H5NO2/c1-14(2)7-8-15(3,4)12-9-10(13(16)17)5-6-11(12)14;8-6(9)5-2-1-3-7-4-5/h5-6,9H,7-8H2,1-4H3,(H2,16,17);1-4H,(H,8,9)