6-[(6-hexyl-3,3-dimethyl-1,2-dihydroinden-5-yl)carbonyloxy]pyridine-3-carboxylic acid

Systemtic Name: 6-[(6-hexyl-3,3-dimethyl-1,2-dihydroinden-5-yl)carbonyloxy]pyridine-3-carboxylic acid Openeye Name: 6-(6-hexyl-3,3-dimethyl-indane-5-carbonyl)oxypyridine-3-carboxylic acid CAS Name: 6-[(6-hexyl-3,3-dimethyl-1,2-dihydroinden-5-yl)-oxomethoxy]-3-pyridinecarboxylic acid IUPAC Name: 6-(6-hexyl-3,3-dimethyl-1,2-dihydroindene-5-carbonyl)oxypyridine-3-carboxylic acid Traditional Name: 6-(6-hexyl-3,3-dimethyl-indane-5-carbonyl)oxynicotinic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1C(=O)OC3=NC=C(C=C3)C(=O)O)C(CC2)(C)C

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1C(=O)OC3=NC=C(C=C3)C(=O)O)C(CC2)(C)C

InChI

InChI=1S/C24H29NO4/c1-4-5-6-7-8-16-13-17-11-12-24(2,3)20(17)14-19(16)23(28)29-21-10-9-18(15-25-21)22(26)27/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,26,27)