ethyl 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 3-[3-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C25H30N2O7/c1-2-31-25(30)18-6-5-7-20(14-18)32-16-19(28)15-26-10-12-27(13-11-26)24(29)23-17-33-21-8-3-4-9-22(21)34-23/h3-9,14,19,23,28H,2,10-13,15-17H2,1H3