[4-(2-octoxypyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(2-octoxy-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-octoxypyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(2-octoxypyrimidin-5-yl)phenyl] ester Formula: C24H33ClN2O3 MolecularWeight: 432.98342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C24H33ClN2O3/c1-4-6-7-8-9-10-15-29-24-26-16-20(17-27-24)19-11-13-21(14-12-19)30-23(28)22(25)18(3)5-2/h11-14,16-18,22H,4-10,15H2,1-3H3