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

Systemtic Name: 1-[4-[2-(4-octoxyphenyl)pyrimidin-5-yl]carbonylphenyl]propan-1-one Openeye Name: 1-[4-[2-(4-octoxyphenyl)pyrimidine-5-carbonyl]phenyl]propan-1-one CAS Name: 1-[4-[[2-(4-octoxyphenyl)-5-pyrimidinyl]-oxomethyl]phenyl]-1-propanone IUPAC Name: 1-[4-[2-(4-octoxyphenyl)pyrimidine-5-carbonyl]phenyl]propan-1-one Traditional Name: 1-[4-[2-(4-octoxyphenyl)pyrimidine-5-carbonyl]phenyl]propan-1-one Formula: C28H32N2O3 MolecularWeight: 444.56528

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3/c1-3-5-6-7-8-9-18-33-25-16-14-23(15-17-25)28-29-19-24(20-30-28)27(32)22-12-10-21(11-13-22)26(31)4-2/h10-17,19-20H,3-9,18H2,1-2H3