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

Systemtic Name: [2-(5-octylpyrimidin-2-yl)phenyl] 2-chloranyl-4-methyl-pentanoate Openeye Name: [2-(5-octylpyrimidin-2-yl)phenyl] 2-chloro-4-methyl-pentanoate CAS Name: 2-chloro-4-methylpentanoic acid [2-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-octylpyrimidin-2-yl)phenyl] 2-chloro-4-methylpentanoate Traditional Name: 2-chloro-4-methyl-valeric acid [2-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C24H33ClN2O2 MolecularWeight: 416.98402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C(CC(C)C)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)C(CC(C)C)Cl

InChI

InChI=1S/C24H33ClN2O2/c1-4-5-6-7-8-9-12-19-16-26-23(27-17-19)20-13-10-11-14-22(20)29-24(28)21(25)15-18(2)3/h10-11,13-14,16-18,21H,4-9,12,15H2,1-3H3