ethyl 4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoate CAS Name: 4-[4-(4-hexoxyphenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(4-hexoxyphenyl)piperazino]benzoic acid ethyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C25H34N2O3/c1-3-5-6-7-20-30-24-14-12-23(13-15-24)27-18-16-26(17-19-27)22-10-8-21(9-11-22)25(28)29-4-2/h8-15H,3-7,16-20H2,1-2H3