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

Systemtic Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate Openeye Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CC

InChI

InChI=1S/C31H40N2O2/c1-4-6-7-8-9-10-11-12-25-13-15-27(16-14-25)31-32-22-28(23-33-31)26-17-19-29(20-18-26)35-30(34)21-24(3)5-2/h13-20,22-24H,4-12,21H2,1-3H3