(2-tert-butylpyridin-3-yl) adamantane-1-carboxylate

Systemtic Name: (2-tert-butylpyridin-3-yl) adamantane-1-carboxylate Openeye Name: (2-tert-butyl-3-pyridyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (2-tert-butyl-3-pyridinyl) ester IUPAC Name: (2-tert-butylpyridin-3-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (2-tert-butyl-3-pyridyl) ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC=N1)OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)C1=C(C=CC=N1)OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27NO2/c1-19(2,3)17-16(5-4-6-21-17)23-18(22)20-10-13-7-14(11-20)9-15(8-13)12-20/h4-6,13-15H,7-12H2,1-3H3