methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(2-dimethylaminoethyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(2-dimethylaminoethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(2-dimethylaminoethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]-(2-dimethylaminoethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(2-dimethylaminoethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-dimethylaminoethyl(piperonyloyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33N3O5/c1-27(2)14-15-29(25(30)21-8-9-23-24(16-21)34-18-33-23)22-10-12-28(13-11-22)17-19-4-6-20(7-5-19)26(31)32-3/h4-9,16,22H,10-15,17-18H2,1-3H3