octyl 4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: octyl 4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: octyl 4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid octyl ester IUPAC Name: octyl 4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid octyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCC

InChI

InChI=1S/C25H36N2O2/c1-3-5-7-9-10-12-18-29-25(28)23-16-14-22(15-17-23)24-26-19-21(20-27-24)13-11-8-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3