[5-(5-heptylpyrimidin-2-yl)-2-phenyl-phenyl] 4-hexoxybutanoate

Systemtic Name: [5-(5-heptylpyrimidin-2-yl)-2-phenyl-phenyl] 4-hexoxybutanoate Openeye Name: [5-(5-heptylpyrimidin-2-yl)-2-phenyl-phenyl] 4-hexoxybutanoate CAS Name: 4-hexoxybutanoic acid [5-(5-heptyl-2-pyrimidinyl)-2-phenylphenyl] ester IUPAC Name: [5-(5-heptylpyrimidin-2-yl)-2-phenylphenyl] 4-hexoxybutanoate Traditional Name: 4-hexoxybutyric acid [5-(5-heptylpyrimidin-2-yl)-2-phenyl-phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O3/c1-3-5-7-9-11-16-27-25-34-33(35-26-27)29-20-21-30(28-17-12-10-13-18-28)31(24-29)38-32(36)19-15-23-37-22-14-8-6-4-2/h10,12-13,17-18,20-21,24-26H,3-9,11,14-16,19,22-23H2,1-2H3