[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methanoylbenzoate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=CC=C(C=C4)C=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=CC=C(C=C4)C=O

InChI

InChI=1S/C22H22N2O6/c25-13-16-1-4-18(5-2-16)22(27)28-14-21(26)24-9-7-23(8-10-24)12-17-3-6-19-20(11-17)30-15-29-19/h1-6,11,13H,7-10,12,14-15H2