ethyl 2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazino]benzoic acid ethyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)CC(COC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)CC(COC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H28N2O6/c1-2-28-23(27)19-5-3-4-6-20(19)25-11-9-24(10-12-25)14-17(26)15-29-18-7-8-21-22(13-18)31-16-30-21/h3-8,13,17,26H,2,9-12,14-16H2,1H3