(6-methyl-2-phenethyl-pyridin-3-yl) adamantane-1-carboxylate

Systemtic Name: (6-methyl-2-phenethyl-pyridin-3-yl) adamantane-1-carboxylate Openeye Name: (6-methyl-2-phenethyl-3-pyridyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (6-methyl-2-phenethyl-3-pyridinyl) ester IUPAC Name: (6-methyl-2-phenethylpyridin-3-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (6-methyl-2-phenethyl-3-pyridyl) ester Formula: C25H29NO2 MolecularWeight: 375.50326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(C=C1)OC(=O)C23CC4CC(C2)CC(C4)C3)CCC5=CC=CC=C5

InChI

InChI=1S/C25H29NO2/c1-17-7-10-23(22(26-17)9-8-18-5-3-2-4-6-18)28-24(27)25-14-19-11-20(15-25)13-21(12-19)16-25/h2-7,10,19-21H,8-9,11-16H2,1H3