[4-(diethylamino)-1-phenyl-but-2-ynyl] pyridine-3-carboxylate

Systemtic Name: [4-(diethylamino)-1-phenyl-but-2-ynyl] pyridine-3-carboxylate Openeye Name: [4-(diethylamino)-1-phenyl-but-2-ynyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-(diethylamino)-1-phenylbut-2-ynyl] ester IUPAC Name: [4-(diethylamino)-1-phenylbut-2-ynyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-(diethylamino)-1-phenyl-but-2-ynyl] ester Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C1=CC=CC=C1)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CCN(CC)CC#CC(C1=CC=CC=C1)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H22N2O2/c1-3-22(4-2)15-9-13-19(17-10-6-5-7-11-17)24-20(23)18-12-8-14-21-16-18/h5-8,10-12,14,16,19H,3-4,15H2,1-2H3