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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C32H36N4O2 MolecularWeight: 508.65384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCC

InChI

InChI=1S/C32H36N4O2/c1-3-5-7-9-11-25-22-33-30(34-23-25)26-12-14-28(15-13-26)32(37)38-29-18-16-27(17-19-29)31-35-20-24(21-36-31)10-8-6-4-2/h12-23H,3-11H2,1-2H3