[4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Cl

InChI

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