1-butoxyethyl 4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: 1-butoxyethyl 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: 1-butoxyethyl 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid 1-butoxyethyl ester IUPAC Name: 1-butoxyethyl 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid 1-butoxyethyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)OCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)OCCCC

InChI

InChI=1S/C25H36N2O3/c1-4-6-8-9-10-11-12-21-18-26-24(27-19-21)22-13-15-23(16-14-22)25(28)30-20(3)29-17-7-5-2/h13-16,18-20H,4-12,17H2,1-3H3