ethyl 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoate

Systemtic Name: ethyl 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoate Openeye Name: ethyl 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoate CAS Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]-1-piperazinyl]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazin-1-yl]ethyl]benzoate Traditional Name: 4-[2-[4-[2-(4-nitrophenoxy)propyl]piperazino]ethyl]benzoic acid ethyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)CC(C)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)CC(C)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O5/c1-3-31-24(28)21-6-4-20(5-7-21)12-13-25-14-16-26(17-15-25)18-19(2)32-23-10-8-22(9-11-23)27(29)30/h4-11,19H,3,12-18H2,1-2H3