diethyl 2-[1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methyl]propanedioate

Systemtic Name: diethyl 2-[1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methyl]propanedioate Openeye Name: diethyl 2-[1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methyl]propanedioate CAS Name: 2-[1,3-benzodioxol-5-yl-(4-phenyl-1-piperazinyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methyl]propanedioate Traditional Name: 2-[1,3-benzodioxol-5-yl-(4-phenylpiperazino)methyl]malonic acid diethyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6/c1-3-30-24(28)22(25(29)31-4-2)23(18-10-11-20-21(16-18)33-17-32-20)27-14-12-26(13-15-27)19-8-6-5-7-9-19/h5-11,16,22-23H,3-4,12-15,17H2,1-2H3