[4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylbutanoate Openeye Name: [4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[4-(5-nonyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[4-(5-nonylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C)CC

InChI

InChI=1S/C30H38N2O2/c1-4-6-7-8-9-10-11-12-24-21-31-29(32-22-24)27-15-13-25(14-16-27)26-17-19-28(20-18-26)34-30(33)23(3)5-2/h13-23H,4-12H2,1-3H3