methyl 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-piperonylpiperazino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O5/c1-29-23(28)19-5-2-17(3-6-19)13-24-22(27)15-26-10-8-25(9-11-26)14-18-4-7-20-21(12-18)31-16-30-20/h2-7,12H,8-11,13-16H2,1H3,(H,24,27)