1-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate

Systemtic Name: 1-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate Openeye Name: [2-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-[5-(4-butylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C27H32N2O3/c1-4-6-8-21-9-11-22(12-10-21)24-17-28-27(29-18-24)23-13-15-25(16-14-23)31-19-20(3)32-26(30)7-5-2/h9-18,20H,4-8,19H2,1-3H3