3-[3-(pyridin-2-yloxymethyl)-1-adamantyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[3-(pyridin-2-yloxymethyl)-1-adamantyl]adamantane-1-carboxylic acid Openeye Name: 3-[3-(2-pyridyloxymethyl)-1-adamantyl]adamantane-1-carboxylic acid CAS Name: 3-[3-(2-pyridinyloxymethyl)-1-adamantyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[3-(pyridin-2-yloxymethyl)-1-adamantyl]adamantane-1-carboxylic acid Traditional Name: 3-[3-(2-pyridyloxymethyl)-1-adamantyl]adamantane-1-carboxylic acid Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)COC7=CC=CC=N7

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C45CC6CC(C4)CC(C6)(C5)C(=O)O)COC7=CC=CC=N7

InChI

InChI=1S/C27H35NO3/c29-23(30)25-9-20-6-21(10-25)14-27(13-20,16-25)26-11-18-5-19(12-26)8-24(7-18,15-26)17-31-22-3-1-2-4-28-22/h1-4,18-21H,5-17H2,(H,29,30)