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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C26H37ClN2O2 MolecularWeight: 445.03718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C26H37ClN2O2/c1-4-6-7-8-9-10-11-12-13-21-18-28-25(29-19-21)22-14-16-23(17-15-22)31-26(30)24(27)20(3)5-2/h14-20,24H,4-13H2,1-3H3