tert-butyl 3-[(1-chloranylisoquinolin-5-yl)oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(1-chloranylisoquinolin-5-yl)oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(1-chloro-5-isoquinolyl)oxymethyl]piperidine-1-carboxylate CAS Name: 3-[(1-chloro-5-isoquinolinyl)oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-chloroisoquinolin-5-yl)oxymethyl]piperidine-1-carboxylate Traditional Name: 3-[(1-chloro-5-isoquinolyl)oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25ClN2O3 MolecularWeight: 376.8771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC3=C2C=CN=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C20H25ClN2O3/c1-20(2,3)26-19(24)23-11-5-6-14(12-23)13-25-17-8-4-7-16-15(17)9-10-22-18(16)21/h4,7-10,14H,5-6,11-13H2,1-3H3