methyl 3-cyano-2-[4-[[[1-(pyrimidin-5-ylcarbonylamino)cyclopropyl]carbonylamino]methyl]piperidin-1-yl]benzoate

Systemtic Name: methyl 3-cyano-2-[4-[[[1-(pyrimidin-5-ylcarbonylamino)cyclopropyl]carbonylamino]methyl]piperidin-1-yl]benzoate Openeye Name: methyl 3-cyano-2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]-1-piperidyl]benzoate CAS Name: 3-cyano-2-[4-[[[oxo-[1-[[oxo(5-pyrimidinyl)methyl]amino]cyclopropyl]methyl]amino]methyl]-1-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 3-cyano-2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]benzoate Traditional Name: 3-cyano-2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidino]benzoic acid methyl ester Formula: C24H26N6O4 MolecularWeight: 462.50104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1N2CCC(CC2)CNC(=O)C3(CC3)NC(=O)C4=CN=CN=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1N2CCC(CC2)CNC(=O)C3(CC3)NC(=O)C4=CN=CN=C4)C#N

InChI

InChI=1S/C24H26N6O4/c1-34-22(32)19-4-2-3-17(11-25)20(19)30-9-5-16(6-10-30)12-28-23(33)24(7-8-24)29-21(31)18-13-26-15-27-14-18/h2-4,13-16H,5-10,12H2,1H3,(H,28,33)(H,29,31)