4-[2-(1-adamantyl)phenyl]pyridine-3-carboxylate

Systemtic Name: 4-[2-(1-adamantyl)phenyl]pyridine-3-carboxylate Openeye Name: 4-[2-(1-adamantyl)phenyl]pyridine-3-carboxylate CAS Name: 4-[2-(1-adamantyl)phenyl]-3-pyridinecarboxylate IUPAC Name: 4-[2-(1-adamantyl)phenyl]pyridine-3-carboxylate Traditional Name: 4-[2-(1-adamantyl)phenyl]nicotinate Formula: C22H22NO2- MolecularWeight: 332.41558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC=C4C5=C(C=NC=C5)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC=C4C5=C(C=NC=C5)C(=O)[O-]

InChI

InChI=1S/C22H23NO2/c24-21(25)19-13-23-6-5-17(19)18-3-1-2-4-20(18)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,13-16H,7-12H2,(H,24,25)/p-1