1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl pentanoate

Systemtic Name: 1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl pentanoate Openeye Name: [2-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]oxy-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[[2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl pentanoate Traditional Name: valeric acid [2-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]oxy-1-methyl-ethyl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCCC

InChI

InChI=1S/C30H38N2O3/c1-4-6-8-9-10-24-12-14-25(15-13-24)26-16-18-27(19-17-26)30-31-20-28(21-32-30)34-22-23(3)35-29(33)11-7-5-2/h12-21,23H,4-11,22H2,1-3H3