6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)carbonyl]pyridine-3-carboxylic acid Openeye Name: 6-(1,1,4,4,7-pentamethyltetralin-6-carbonyl)pyridine-3-carboxylic acid CAS Name: 6-[oxo-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-3-pyridinecarboxylic acid IUPAC Name: 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylic acid Traditional Name: 6-(1,1,4,4,7-pentamethyltetralin-6-carbonyl)nicotinic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)C3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)C3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C22H25NO3/c1-13-10-16-17(22(4,5)9-8-21(16,2)3)11-15(13)19(24)18-7-6-14(12-23-18)20(25)26/h6-7,10-12H,8-9H2,1-5H3,(H,25,26)