(phenylmethyl) 4-(6-bromanylisoquinolin-7-yl)oxypiperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(6-bromanylisoquinolin-7-yl)oxypiperidine-1-carboxylate Openeye Name: benzyl 4-[(6-bromo-7-isoquinolyl)oxy]piperidine-1-carboxylate CAS Name: 4-[(6-bromo-7-isoquinolinyl)oxy]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(6-bromoisoquinolin-7-yl)oxypiperidine-1-carboxylate Traditional Name: 4-[(6-bromo-7-isoquinolyl)oxy]piperidine-1-carboxylic acid benzyl ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C3C=CN=CC3=C2)Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1OC2=C(C=C3C=CN=CC3=C2)Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2O3/c23-20-12-17-6-9-24-14-18(17)13-21(20)28-19-7-10-25(11-8-19)22(26)27-15-16-4-2-1-3-5-16/h1-6,9,12-14,19H,7-8,10-11,15H2