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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=NC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=NC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H33NO5/c1-18(34-2)35-17-36-28-12-22-3-4-23(27-6-5-24(16-31-27)29(32)33)10-25(22)11-26(28)30-13-19-7-20(14-30)9-21(8-19)15-30/h3-6,10-12,16,18-21H,7-9,13-15,17H2,1-2H3,(H,32,33)