[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 6-methylpyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25NO3/c1-12-3-4-17(11-21-12)19(23)24-13(2)18(22)20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,11,13-16H,5-10H2,1-2H3