3-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)carbonyl]pyridine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C(=O)C3=C(N=CC=C3)C(=O)O)C(CCC2(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C1)C(=O)C3=C(N=CC=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

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