[4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylbutanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(C)CC

InChI

InChI=1S/C31H40N2O2/c1-4-6-7-8-9-10-11-12-13-25-14-16-26(17-15-25)28-22-32-30(33-23-28)27-18-20-29(21-19-27)35-31(34)24(3)5-2/h14-24H,4-13H2,1-3H3