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

Systemtic Name: methyl 4-[[4-[pyridin-3-ylcarbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[pyridine-3-carbonyl(3-pyridylmethyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[[oxo(3-pyridinyl)methyl]-(3-pyridinylmethyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[pyridine-3-carbonyl(pyridin-3-ylmethyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[nicotinoyl(3-pyridylmethyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-33-26(32)22-8-6-20(7-9-22)18-29-14-10-24(11-15-29)30(19-21-4-2-12-27-16-21)25(31)23-5-3-13-28-17-23/h2-9,12-13,16-17,24H,10-11,14-15,18-19H2,1H3