methyl 6-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]pyridine-3-carboxylate CAS Name: 6-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthalenyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]pyridine-3-carboxylate Traditional Name: 6-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]nicotinic acid methyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

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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)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

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

InChI

InChI=1S/C31H35NO5/c1-19(34-2)36-18-37-29-13-23-4-5-24(28-7-6-25(17-32-28)30(33)35-3)11-26(23)12-27(29)31-14-20-8-21(15-31)10-22(9-20)16-31/h4-7,11-13,17,19-22H,8-10,14-16,18H2,1-3H3