(2,2,4-trimethyl-1H-quinolin-6-yl) adamantane-1-carboxylate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) adamantane-1-carboxylate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C23H29NO2 MolecularWeight: 351.48186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)(C)C

InChI

InChI=1S/C23H29NO2/c1-14-10-22(2,3)24-20-5-4-18(9-19(14)20)26-21(25)23-11-15-6-16(12-23)8-17(7-15)13-23/h4-5,9-10,15-17,24H,6-8,11-13H2,1-3H3