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

Systemtic Name: octyl 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoate Openeye Name: octyl 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoate CAS Name: 4-[[4-(5-hexyl-2-pyrimidinyl)phenoxy]methyl]benzoic acid octyl ester IUPAC Name: octyl 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoate Traditional Name: 4-[[4-(5-hexylpyrimidin-2-yl)phenoxy]methyl]benzoic acid octyl ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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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)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O3/c1-3-5-7-9-10-12-22-36-32(35)29-16-14-26(15-17-29)25-37-30-20-18-28(19-21-30)31-33-23-27(24-34-31)13-11-8-6-4-2/h14-21,23-24H,3-13,22,25H2,1-2H3