pyridin-4-ylmethyl adamantane-1-carboxylate

Systemtic Name: pyridin-4-ylmethyl adamantane-1-carboxylate Openeye Name: 4-pyridylmethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 4-pyridylmethyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=NC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=NC=C4

InChI

InChI=1S/C17H21NO2/c19-16(20-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2