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

Systemtic Name: [4-[2-(4-propylphenyl)pyrimidin-5-yl]phenyl] heptanoate Openeye Name: [4-[2-(4-propylphenyl)pyrimidin-5-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[2-(4-propylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-propylphenyl)pyrimidin-5-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[2-(4-propylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C26H30N2O2/c1-3-5-6-7-9-25(29)30-24-16-14-21(15-17-24)23-18-27-26(28-19-23)22-12-10-20(8-4-2)11-13-22/h10-19H,3-9H2,1-2H3