ethyl 3-(4-chlorophenyl)-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-(4-chlorophenyl)-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)carbonylcyclohexyl]carbonylamino]propanoate Openeye Name: ethyl 3-(4-chlorophenyl)-2-[[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]amino]propanoate CAS Name: 3-(4-chlorophenyl)-2-[[oxo-[2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]cyclohexyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorophenyl)-2-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]propanoate Traditional Name: 3-(4-chlorophenyl)-2-[[2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarbonyl]amino]propionic acid ethyl ester Formula: C28H35ClN4O4 MolecularWeight: 527.0549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35ClN4O4/c1-2-37-28(36)24(19-20-10-12-21(29)13-11-20)31-26(34)22-7-3-4-8-23(22)27(35)33-17-15-32(16-18-33)25-9-5-6-14-30-25/h5-6,9-14,22-24H,2-4,7-8,15-19H2,1H3,(H,31,34)