[4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexyl-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-hexyl-benzoate CAS Name: 3-chloro-4-hexylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-hexylbenzoate Traditional Name: 3-chloro-4-hexyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C31H39ClN2O2 MolecularWeight: 507.10656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)Cl

InChI

InChI=1S/C31H39ClN2O2/c1-3-5-7-9-10-11-13-24-22-33-30(34-23-24)26-17-19-28(20-18-26)36-31(35)27-16-15-25(29(32)21-27)14-12-8-6-4-2/h15-23H,3-14H2,1-2H3