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

Systemtic Name: ethyl 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoate Openeye Name: ethyl 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazin-1-yl]benzoate CAS Name: 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]benzoate Traditional Name: 2-[4-[1-(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)C(C(C)O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCN(CC2)C(C(C)O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O6/c1-3-28-23(27)18-6-4-5-7-19(18)24-10-12-25(13-11-24)22(16(2)26)31-17-8-9-20-21(14-17)30-15-29-20/h4-9,14,16,22,26H,3,10-13,15H2,1-2H3