[4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C31H34N4O2 MolecularWeight: 494.62726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCC

InChI

InChI=1S/C31H34N4O2/c1-3-5-6-7-8-10-24-21-34-29(35-22-24)25-11-13-27(14-12-25)31(36)37-28-17-15-26(16-18-28)30-32-19-23(9-4-2)20-33-30/h11-22H,3-10H2,1-2H3