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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C36H44N4O2 MolecularWeight: 564.76016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=NC=C(C=N4)CCCCC

Isomeric SMILES

CCCCCCCCCCC1=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/C36H44N4O2/c1-3-5-7-8-9-10-11-13-15-29-26-37-34(38-27-29)30-16-18-32(19-17-30)36(41)42-33-22-20-31(21-23-33)35-39-24-28(25-40-35)14-12-6-4-2/h16-27H,3-15H2,1-2H3