[4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 4-methylheptanoate

Systemtic Name: [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 4-methylheptanoate Openeye Name: [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 4-methylheptanoate CAS Name: 4-methylheptanoic acid [4-[4-(5-octoxy-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 4-methylheptanoate Traditional Name: 4-methylenanthic acid [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCC(C)CCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCC(C)CCC

InChI

InChI=1S/C32H42N2O3/c1-4-6-7-8-9-10-22-36-30-23-33-32(34-24-30)28-15-13-26(14-16-28)27-17-19-29(20-18-27)37-31(35)21-12-25(3)11-5-2/h13-20,23-25H,4-12,21-22H2,1-3H3