tert-butyl 4-[2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(benzyloxycarbonylamino)-3-(4-benzyloxyphenyl)propyl]piperazine-1-carboxylate CAS Name: 4-[2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-benzoxyphenyl)-2-(benzyloxycarbonylamino)propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C33H41N3O5 MolecularWeight: 559.69574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H41N3O5/c1-33(2,3)41-32(38)36-20-18-35(19-21-36)23-29(34-31(37)40-25-28-12-8-5-9-13-28)22-26-14-16-30(17-15-26)39-24-27-10-6-4-7-11-27/h4-17,29H,18-25H2,1-3H3,(H,34,37)