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

Systemtic Name: [4-[4-(5-butylpyrimidin-2-yl)phenyl]phenyl] 3-methylpentanoate Openeye Name: [4-[4-(5-butylpyrimidin-2-yl)phenyl]phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-[4-(5-butyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-butylpyrimidin-2-yl)phenyl]phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-[4-(5-butylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CC(C)CC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CC(C)CC

InChI

InChI=1S/C26H30N2O2/c1-4-6-7-20-17-27-26(28-18-20)23-10-8-21(9-11-23)22-12-14-24(15-13-22)30-25(29)16-19(3)5-2/h8-15,17-19H,4-7,16H2,1-3H3