[2-(1-adamantyl)phenyl] pyridine-3-carboxylate

Systemtic Name: [2-(1-adamantyl)phenyl] pyridine-3-carboxylate Openeye Name: [2-(1-adamantyl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(1-adamantyl)phenyl] ester IUPAC Name: [2-(1-adamantyl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(1-adamantyl)phenyl] ester Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC=C4OC(=O)C5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC=C4OC(=O)C5=CN=CC=C5

InChI

InChI=1S/C22H23NO2/c24-21(18-4-3-7-23-14-18)25-20-6-2-1-5-19(20)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,14-17H,8-13H2