sodium 4-[4-[4-[(2-fluorophenyl)methoxy]-6-phenyl-pyrimidin-2-yl]phenoxy]butanoate

Systemtic Name: sodium 4-[4-[4-[(2-fluorophenyl)methoxy]-6-phenyl-pyrimidin-2-yl]phenoxy]butanoate Openeye Name: sodium 4-[4-[4-[(2-fluorophenyl)methoxy]-6-phenyl-pyrimidin-2-yl]phenoxy]butanoate CAS Name: sodium 4-[4-[4-[(2-fluorophenyl)methoxy]-6-phenyl-2-pyrimidinyl]phenoxy]butanoate IUPAC Name: sodium 4-[4-[4-[(2-fluorophenyl)methoxy]-6-phenylpyrimidin-2-yl]phenoxy]butanoate Traditional Name: sodium 4-[4-[4-(2-fluorobenzyl)oxy-6-phenyl-pyrimidin-2-yl]phenoxy]butyrate Formula: C27H22FN2NaO4 MolecularWeight: 480.462753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)OCCCC(=O)[O-])OCC4=CC=CC=C4F.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)OCCCC(=O)[O-])OCC4=CC=CC=C4F.[Na+]

InChI

InChI=1S/C27H23FN2O4.Na/c28-23-10-5-4-9-21(23)18-34-25-17-24(19-7-2-1-3-8-19)29-27(30-25)20-12-14-22(15-13-20)33-16-6-11-26(31)32;/h1-5,7-10,12-15,17H,6,11,16,18H2,(H,31,32);/q;+1/p-1