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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-chloranyl-4-methyl-heptanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-chloro-4-methyl-heptanoate CAS Name: 3-chloro-4-methylheptanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-chloro-4-methylheptanoate Traditional Name: 3-chloro-4-methyl-enanthic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C28H41ClN2O2 MolecularWeight: 473.09034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41ClN2O2/c1-4-6-7-8-9-10-11-12-14-23-20-30-28(31-21-23)24-15-17-25(18-16-24)33-27(32)19-26(29)22(3)13-5-2/h15-18,20-22,26H,4-14,19H2,1-3H3