6-[(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)carbonyloxy]pyridine-3-carboxylic acid

Systemtic Name: 6-[(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)carbonyloxy]pyridine-3-carboxylic acid Openeye Name: 6-(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)oxypyridine-3-carboxylic acid CAS Name: 6-[(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl)-oxomethoxy]-3-pyridinecarboxylic acid IUPAC Name: 6-(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-2-carbonyl)oxypyridine-3-carboxylic acid Traditional Name: 6-(3-hexyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzocycloheptene-2-carbonyl)oxynicotinic acid Formula: C26H33NO4 MolecularWeight: 423.54452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(CCCCC2(C)C)C=C1C(=O)OC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(CCCCC2(C)C)C=C1C(=O)OC3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H33NO4/c1-4-5-6-7-10-18-16-22-19(11-8-9-14-26(22,2)3)15-21(18)25(30)31-23-13-12-20(17-27-23)24(28)29/h12-13,15-17H,4-11,14H2,1-3H3,(H,28,29)