[2-(1-adamantyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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