ethyl 3-[4-[3,3-bis(4-chlorophenyl)propyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[4-[3,3-bis(4-chlorophenyl)propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 3-[4-[3,3-bis(4-chlorophenyl)propyl]piperazin-1-yl]benzoate CAS Name: 3-[4-[3,3-bis(4-chlorophenyl)propyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3,3-bis(4-chlorophenyl)propyl]piperazin-1-yl]benzoate Traditional Name: 3-[4-[3,3-bis(4-chlorophenyl)propyl]piperazino]benzoic acid ethyl ester Formula: C28H30Cl2N2O2 MolecularWeight: 497.456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)CCC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30Cl2N2O2/c1-2-34-28(33)23-4-3-5-26(20-23)32-18-16-31(17-19-32)15-14-27(21-6-10-24(29)11-7-21)22-8-12-25(30)13-9-22/h3-13,20,27H,2,14-19H2,1H3