[2-(1-adamantyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=NC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=NC=C4

InChI

InChI=1S/C18H21NO3/c20-16(11-22-17(21)15-1-3-19-4-2-15)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2