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

Systemtic Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate Openeye Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate CAS Name: 4-methylheptanoic acid [4-[2-(4-hexoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] 4-methylheptanoate Traditional Name: 4-methylenanthic acid [4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCC(C)CCC

InChI

InChI=1S/C30H38N2O3/c1-4-6-7-8-20-34-27-15-13-25(14-16-27)30-31-21-26(22-32-30)24-11-17-28(18-12-24)35-29(33)19-10-23(3)9-5-2/h11-18,21-23H,4-10,19-20H2,1-3H3