ethyl 4-(2-chloranyl-4-fluoranyl-phenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-[2,4,6-tris(fluoranyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-4-fluoranyl-phenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-[2,4,6-tris(fluoranyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-chloro-4-fluoro-phenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-6-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-4-fluorophenyl)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-[(4-carbethoxypiperazino)methyl]-4-(2-chloro-4-fluoro-phenyl)-2-(2,4,6-trifluorophenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H27ClF4N4O4 MolecularWeight: 582.974293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Cl)C3=C(C=C(C=C3F)F)F)CN4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)F)Cl)C3=C(C=C(C=C3F)F)F)CN4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H27ClF4N4O4/c1-3-39-26(37)23-21(14-35-7-9-36(10-8-35)27(38)40-4-2)33-25(22-19(31)12-16(30)13-20(22)32)34-24(23)17-6-5-15(29)11-18(17)28/h5-6,11-13,24H,3-4,7-10,14H2,1-2H3,(H,33,34)