3-[4-(5-propyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate

Systemtic Name: 3-[4-(5-propyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate Openeye Name: 3-[4-(5-propyl-2-pyrimidin-2-yl-phenyl)phenyl]propanoate CAS Name: 3-[4-[5-propyl-2-(2-pyrimidinyl)phenyl]phenyl]propanoate IUPAC Name: 3-[4-(5-propyl-2-pyrimidin-2-ylphenyl)phenyl]propanoate Traditional Name: 3-[4-[5-propyl-2-(2-pyrimidyl)phenyl]phenyl]propionate Formula: C22H21N2O2- MolecularWeight: 345.41434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C22H22N2O2/c1-2-4-17-7-11-19(22-23-13-3-14-24-22)20(15-17)18-9-5-16(6-10-18)8-12-21(25)26/h3,5-7,9-11,13-15H,2,4,8,12H2,1H3,(H,25,26)/p-1