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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate CAS Name: 4-(2-methylbutyl)benzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-(2-methylbutyl)benzoate Traditional Name: 4-(2-methylbutyl)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CC(C)CC

InChI

InChI=1S/C29H36N2O2/c1-4-6-7-8-9-10-24-20-30-28(31-21-24)25-15-17-27(18-16-25)33-29(32)26-13-11-23(12-14-26)19-22(3)5-2/h11-18,20-22H,4-10,19H2,1-3H3