methyl 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[(4-piperonyloylpiperazino)methyl]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-26-21(25)16-4-2-15(3-5-16)13-22-8-10-23(11-9-22)20(24)17-6-7-18-19(12-17)28-14-27-18/h2-7,12H,8-11,13-14H2,1H3