[4-[2-(6-methyloctoxy)pyrimidin-5-yl]phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-[2-(6-methyloctoxy)pyrimidin-5-yl]phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-[2-(6-methyloctoxy)pyrimidin-5-yl]phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[2-(6-methyloctoxy)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(6-methyloctoxy)pyrimidin-5-yl]phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[2-(6-methyloctoxy)pyrimidin-5-yl]phenyl] ester Formula: C25H35ClN2O3 MolecularWeight: 447.01

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCC(C)CCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C25H35ClN2O3/c1-5-18(3)10-8-7-9-15-30-25-27-16-21(17-28-25)20-11-13-22(14-12-20)31-24(29)23(26)19(4)6-2/h11-14,16-19,23H,5-10,15H2,1-4H3