2-[4-[2-(2-phenylbutanoyloxy)ethyl]piperazin-1-yl]ethyl 2-phenylbutanoate dihydrochloride

Systemtic Name: 2-[4-[2-(2-phenylbutanoyloxy)ethyl]piperazin-1-yl]ethyl 2-phenylbutanoate dihydrochloride Openeye Name: 2-[4-[2-(2-phenylbutanoyloxy)ethyl]piperazin-1-yl]ethyl 2-phenylbutanoate dihydrochloride CAS Name: 2-phenylbutanoic acid 2-[4-[2-(1-oxo-2-phenylbutoxy)ethyl]-1-piperazinyl]ethyl ester dihydrochloride IUPAC Name: 2-[4-[2-(2-phenylbutanoyloxy)ethyl]piperazin-1-yl]ethyl 2-phenylbutanoate dihydrochloride Traditional Name: 2-phenylbutyric acid 2-[4-[2-(2-phenylbutanoyloxy)ethyl]piperazino]ethyl ester dihydrochloride Formula: C28H40Cl2N2O4 MolecularWeight: 539.5342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C(CC)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCCN2CCN(CC2)CCOC(=O)C(CC)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C28H38N2O4.2ClH/c1-3-25(23-11-7-5-8-12-23)27(31)33-21-19-29-15-17-30(18-16-29)20-22-34-28(32)26(4-2)24-13-9-6-10-14-24;;/h5-14,25-26H,3-4,15-22H2,1-2H3;2*1H