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

Systemtic Name: methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]benzoate CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]benzoate Traditional Name: 3-[(4-piperonylpiperazino)methyl]benzoic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-25-21(24)18-4-2-3-16(11-18)13-22-7-9-23(10-8-22)14-17-5-6-19-20(12-17)27-15-26-19/h2-6,11-12H,7-10,13-15H2,1H3