tert-butyl 4-(2-isoquinolin-1-ylethyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-isoquinolin-1-ylethyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1-isoquinolyl)ethyl]piperidine-1-carboxylate CAS Name: 4-[2-(1-isoquinolinyl)ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-isoquinolin-1-ylethyl)piperidine-1-carboxylate Traditional Name: 4-[2-(1-isoquinolyl)ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H28N2O2/c1-21(2,3)25-20(24)23-14-11-16(12-15-23)8-9-19-18-7-5-4-6-17(18)10-13-22-19/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3