ethyl 4-[3,5-bis(4-ethoxycarbonylpiperazin-1-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,5-bis(4-ethoxycarbonylpiperazin-1-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3,5-bis(4-ethoxycarbonylpiperazin-1-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3,5-bis(4-ethoxycarbonyl-1-piperazinyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,5-bis(4-ethoxycarbonylpiperazin-1-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3,5-bis(4-carbethoxypiperazino)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H42N6O6 MolecularWeight: 546.65898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)N3CCN(CC3)C(=O)OCC)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)N3CCN(CC3)C(=O)OCC)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H42N6O6/c1-4-37-25(34)31-13-7-28(8-14-31)22-19-23(29-9-15-32(16-10-29)26(35)38-5-2)21-24(20-22)30-11-17-33(18-12-30)27(36)39-6-3/h19-21H,4-18H2,1-3H3