[2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]pyrimidin-5-yl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [2-(2,3-difluoro-4-octoxy-phenyl)pyrimidin-5-yl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [2-(2,3-difluoro-4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(2,3-difluoro-4-octoxyphenyl)pyrimidin-5-yl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [2-(2,3-difluoro-4-octoxy-phenyl)pyrimidin-5-yl] ester Formula: C24H31ClF2N2O3 MolecularWeight: 468.964346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C(C)CC)Cl)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)OC(=O)C(C(C)CC)Cl)F)F

InChI

InChI=1S/C24H31ClF2N2O3/c1-4-6-7-8-9-10-13-31-19-12-11-18(21(26)22(19)27)23-28-14-17(15-29-23)32-24(30)20(25)16(3)5-2/h11-12,14-16,20H,4-10,13H2,1-3H3