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

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylhexanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylhexanoate CAS Name: 2-methylhexanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-methylhexanoate Traditional Name: 2-methylhexanoic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O2/c1-4-6-8-9-10-11-12-13-15-27-16-18-28(19-17-27)30-24-34-32(35-25-30)29-20-22-31(23-21-29)37-33(36)26(3)14-7-5-2/h16-26H,4-15H2,1-3H3