[2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 3-methylpentanoate

Systemtic Name: [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 3-methylpentanoate Openeye Name: [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [2-[4-(4-propylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [2-[4-(4-propylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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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)OC(=O)CC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O2/c1-4-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)25-26-16-23(17-27-25)29-24(28)15-18(3)5-2/h7-14,16-18H,4-6,15H2,1-3H3