6-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)-2-naphthyl]pyridine-3-carboxylic acid CAS Name: 6-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)-2-naphthalenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[7-(1-adamantyl)-6-(2-methoxyethoxymethoxy)-2-naphthyl]nicotinic acid Formula: C30H33NO5 MolecularWeight: 487.58672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=NC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=NC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H33NO5/c1-34-6-7-35-18-36-28-13-22-2-3-23(27-5-4-24(17-31-27)29(32)33)11-25(22)12-26(28)30-14-19-8-20(15-30)10-21(9-19)16-30/h2-5,11-13,17,19-21H,6-10,14-16,18H2,1H3,(H,32,33)