methyl 3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]amino]propanoate CAS Name: 2-[[oxo-[2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]propanoate Traditional Name: 3-phenyl-2-[[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]amino]propionic acid methyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCCC2C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H34N4O4/c1-35-27(34)23(19-20-9-3-2-4-10-20)29-25(32)21-11-5-6-12-22(21)26(33)31-17-15-30(16-18-31)24-13-7-8-14-28-24/h2-4,7-10,13-14,21-23H,5-6,11-12,15-19H2,1H3,(H,29,32)