tert-butyl [2-[4-(3-phenylmethoxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidin-1-yl] carbonate

Systemtic Name: tert-butyl [2-[4-(3-phenylmethoxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidin-1-yl] carbonate Openeye Name: [2-[4-(3-benzyloxypropoxy)phenyl]-3-(7-quinolylmethoxy)-1-piperidyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[4-(3-phenylmethoxypropoxy)phenyl]-3-(7-quinolinylmethoxy)-1-piperidinyl] ester IUPAC Name: tert-butyl [2-[4-(3-phenylmethoxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidin-1-yl] carbonate Traditional Name: carbonic acid [2-[4-(3-benzoxypropoxy)phenyl]-3-(7-quinolylmethoxy)piperidino] tert-butyl ester Formula: C36H42N2O6 MolecularWeight: 598.72848

Click to see the large picture

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=CC=N5)C=C4

Isomeric SMILES

CC(C)(C)OC(=O)ON1CCCC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCC4=CC5=C(C=CC=N5)C=C4

InChI

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