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

Systemtic Name: 1-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl pentanoate Openeye Name: [2-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [2-[4-[5-(4-butylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-4-6-8-22-10-12-23(13-11-22)25-18-29-28(30-19-25)24-14-16-26(17-15-24)32-20-21(3)33-27(31)9-7-5-2/h10-19,21H,4-9,20H2,1-3H3