methyl 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-4-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-4-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(4-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethyl(pyridin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[piperonyl(4-pyridylmethyl)amino]methyl]benzoic acid methyl ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O4/c1-27-23(26)20-5-2-17(3-6-20)13-25(14-18-8-10-24-11-9-18)15-19-4-7-21-22(12-19)29-16-28-21/h2-12H,13-16H2,1H3