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

Systemtic Name: methyl 4-[[4-[1,3-benzodioxol-5-ylcarbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[1,3-benzodioxole-5-carbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[piperonyloyl(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H29N3O5/c1-34-28(33)22-6-4-20(5-7-22)17-30-13-10-24(11-14-30)31(18-21-3-2-12-29-16-21)27(32)23-8-9-25-26(15-23)36-19-35-25/h2-9,12,15-16,24H,10-11,13-14,17-19H2,1H3