octyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate

Systemtic Name: octyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: octyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-heptyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid octyl ester IUPAC Name: octyl 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-heptylpyrimidin-2-yl)phenoxy]methyl]benzoic acid octyl ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC

InChI

InChI=1S/C33H44N2O3/c1-3-5-7-9-11-13-23-37-33(36)30-17-15-27(16-18-30)26-38-31-21-19-29(20-22-31)32-34-24-28(25-35-32)14-12-10-8-6-4-2/h15-22,24-25H,3-14,23,26H2,1-2H3