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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C34H40N4O2 MolecularWeight: 536.707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCC

Isomeric SMILES

CCCCCCCCC1=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/C34H40N4O2/c1-3-5-7-8-9-11-13-27-24-35-32(36-25-27)28-14-16-30(17-15-28)34(39)40-31-20-18-29(19-21-31)33-37-22-26(23-38-33)12-10-6-4-2/h14-25H,3-13H2,1-2H3