[4-(5-hexylpyrimidin-2-yl)phenyl] 4-(4-chloranylpentan-2-yloxy)benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(4-chloranylpentan-2-yloxy)benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(3-chloro-1-methyl-butoxy)benzoate CAS Name: 4-(4-chloropentan-2-yloxy)benzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 4-(4-chloropentan-2-yloxy)benzoate Traditional Name: 4-(3-chloro-1-methyl-butoxy)benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C28H33ClN2O3 MolecularWeight: 481.02622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(C)CC(C)Cl

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(C)CC(C)Cl

InChI

InChI=1S/C28H33ClN2O3/c1-4-5-6-7-8-22-18-30-27(31-19-22)23-9-13-26(14-10-23)34-28(32)24-11-15-25(16-12-24)33-21(3)17-20(2)29/h9-16,18-21H,4-8,17H2,1-3H3