[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate CAS Name: 4-methylheptanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate Traditional Name: 4-methylenanthic acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCC

InChI

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