6-[(3-hexanoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonyloxy]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3-hexanoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonyloxy]pyridine-3-carboxylic acid Openeye Name: 6-(7-hexanoyl-1,1,4,4-tetramethyl-tetralin-6-carbonyl)oxypyridine-3-carboxylic acid CAS Name: 6-[oxo-[5,5,8,8-tetramethyl-3-(1-oxohexyl)-6,7-dihydronaphthalen-2-yl]methoxy]-3-pyridinecarboxylic acid IUPAC Name: 6-(3-hexanoyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)oxypyridine-3-carboxylic acid Traditional Name: 6-(7-caproyl-1,1,4,4-tetramethyl-tetralin-6-carbonyl)oxynicotinic acid Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC2=C(C=C1C(=O)OC3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

Isomeric SMILES

CCCCCC(=O)C1=CC2=C(C=C1C(=O)OC3=NC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C27H33NO5/c1-6-7-8-9-22(29)18-14-20-21(27(4,5)13-12-26(20,2)3)15-19(18)25(32)33-23-11-10-17(16-28-23)24(30)31/h10-11,14-16H,6-9,12-13H2,1-5H3,(H,30,31)