(2-methylquinolin-8-yl) adamantane-1-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) adamantane-1-carboxylate Openeye Name: (2-methyl-8-quinolyl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C21H23NO2 MolecularWeight: 321.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C34CC5CC(C3)CC(C5)C4)C=C1

InChI

InChI=1S/C21H23NO2/c1-13-5-6-17-3-2-4-18(19(17)22-13)24-20(23)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3