1-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl 4-methylpentanoate

Systemtic Name: 1-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl 4-methylpentanoate Openeye Name: [1-methyl-2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid 1-[[2-[4-(4-propylphenyl)phenyl]-5-pyrimidinyl]oxy]propan-2-yl ester IUPAC Name: 1-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxypropan-2-yl 4-methylpentanoate Traditional Name: 4-methylvaleric acid [1-methyl-2-[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl]oxy-ethyl] ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCC(C)OC(=O)CCC(C)C

InChI

InChI=1S/C28H34N2O3/c1-5-6-22-8-10-23(11-9-22)24-12-14-25(15-13-24)28-29-17-26(18-30-28)32-19-21(4)33-27(31)16-7-20(2)3/h8-15,17-18,20-21H,5-7,16,19H2,1-4H3