1-adamantyl 2-pyridin-3-ylethanoate

Systemtic Name: 1-adamantyl 2-pyridin-3-ylethanoate Openeye Name: 1-adamantyl 2-(3-pyridyl)acetate CAS Name: 2-(3-pyridinyl)acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-pyridin-3-ylacetate Traditional Name: 2-(3-pyridyl)acetic acid 1-adamantyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)CC4=CN=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)CC4=CN=CC=C4

InChI

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