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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C41H54N4O2 MolecularWeight: 634.89306

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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)CCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C41H54N4O2/c1-3-5-7-9-11-13-15-17-19-33-29-42-39(43-30-33)35-21-23-37(24-22-35)41(46)47-38-27-25-36(26-28-38)40-44-31-34(32-45-40)20-18-16-14-12-10-8-6-4-2/h21-32H,3-20H2,1-2H3