diethyl 2-[1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl]piperazin-1-yl]methyl]propanedioate

Systemtic Name: diethyl 2-[1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)-3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-propyl]piperazin-1-yl]methyl]propanedioate Openeye Name: diethyl 2-[1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl]piperazin-1-yl]methyl]propanedioate CAS Name: 2-[1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl]-1-piperazinyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl]piperazin-1-yl]methyl]propanedioate Traditional Name: 2-[1,3-benzodioxol-5-yl-[4-[1-(1,3-benzodioxol-5-yl)-2-carbethoxy-3-ethoxy-3-keto-propyl]piperazino]methyl]malonic acid diethyl ester Formula: C34H42N2O12 MolecularWeight: 670.70348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C4=CC5=C(C=C4)OCO5)C(C(=O)OCC)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C4=CC5=C(C=C4)OCO5)C(C(=O)OCC)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C34H42N2O12/c1-5-41-31(37)27(32(38)42-6-2)29(21-9-11-23-25(17-21)47-19-45-23)35-13-15-36(16-14-35)30(22-10-12-24-26(18-22)48-20-46-24)28(33(39)43-7-3)34(40)44-8-4/h9-12,17-18,27-30H,5-8,13-16,19-20H2,1-4H3