tert-butyl [3-(isoquinolin-6-ylmethoxy)-2-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [3-(isoquinolin-6-ylmethoxy)-2-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-1-yl] carbonate Openeye Name: [2-[4-(3-benzyloxypropoxy)phenyl]-3-(6-isoquinolylmethoxy)-1-piperidyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [3-(6-isoquinolinylmethoxy)-2-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinyl] ester IUPAC Name: tert-butyl [3-(isoquinolin-6-ylmethoxy)-2-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-1-yl] carbonate Traditional Name: carbonic acid [2-[4-(3-benzoxypropoxy)phenyl]-3-(6-isoquinolylmethoxy)piperidino] tert-butyl ester Formula: C36H42N2O6 MolecularWeight: 598.72848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)ON1CCCC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCCC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C36H42N2O6/c1-36(2,3)43-35(39)44-38-20-7-11-33(42-26-28-12-13-31-24-37-19-18-30(31)23-28)34(38)29-14-16-32(17-15-29)41-22-8-21-40-25-27-9-5-4-6-10-27/h4-6,9-10,12-19,23-24,33-34H,7-8,11,20-22,25-26H2,1-3H3