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

Systemtic Name: 1-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate Openeye Name: [2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[4-[5-(4-hexylphenyl)-2-pyrimidinyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]propan-2-yl butanoate Traditional Name: butyric acid [2-[4-[5-(4-hexylphenyl)pyrimidin-2-yl]phenoxy]-1-methyl-ethyl] ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OCC(C)OC(=O)CCC

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-10-23-11-13-24(14-12-23)26-19-30-29(31-20-26)25-15-17-27(18-16-25)33-21-22(3)34-28(32)9-5-2/h11-20,22H,4-10,21H2,1-3H3