[3-(6,7-dimethyl-7-azabicyclo[3.2.1]octan-5-yl)phenyl] pyridine-3-carboxylate

Systemtic Name: [3-(6,7-dimethyl-7-azabicyclo[3.2.1]octan-5-yl)phenyl] pyridine-3-carboxylate Openeye Name: [3-(6,7-dimethyl-7-azabicyclo[3.2.1]octan-5-yl)phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-(6,7-dimethyl-7-azabicyclo[3.2.1]octan-5-yl)phenyl] ester IUPAC Name: [3-(6,7-dimethyl-7-azabicyclo[3.2.1]octan-5-yl)phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(6,7-dimethyl-7-azabicyclo[3.2.1]octan-5-yl)phenyl] ester Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2(CCCC(C2)N1C)C3=CC(=CC=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1C2(CCCC(C2)N1C)C3=CC(=CC=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H24N2O2/c1-15-21(10-4-8-18(13-21)23(15)2)17-7-3-9-19(12-17)25-20(24)16-6-5-11-22-14-16/h3,5-7,9,11-12,14-15,18H,4,8,10,13H2,1-2H3