1-[4-[2-(4-octoxyphenyl)pyrimidin-5-yl]carbonylphenyl]pentan-1-one

Systemtic Name: 1-[4-[2-(4-octoxyphenyl)pyrimidin-5-yl]carbonylphenyl]pentan-1-one Openeye Name: 1-[4-[2-(4-octoxyphenyl)pyrimidine-5-carbonyl]phenyl]pentan-1-one CAS Name: 1-[4-[[2-(4-octoxyphenyl)-5-pyrimidinyl]-oxomethyl]phenyl]-1-pentanone IUPAC Name: 1-[4-[2-(4-octoxyphenyl)pyrimidine-5-carbonyl]phenyl]pentan-1-one Traditional Name: 1-[4-[2-(4-octoxyphenyl)pyrimidine-5-carbonyl]phenyl]pentan-1-one Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)C3=CC=C(C=C3)C(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)C3=CC=C(C=C3)C(=O)CCCC

InChI

InChI=1S/C30H36N2O3/c1-3-5-7-8-9-10-20-35-27-18-16-25(17-19-27)30-31-21-26(22-32-30)29(34)24-14-12-23(13-15-24)28(33)11-6-4-2/h12-19,21-22H,3-11,20H2,1-2H3