sodium 4-[6-(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)naphthalen-2-yl]oxybutanoate

Systemtic Name: sodium 4-[6-(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)naphthalen-2-yl]oxybutanoate Openeye Name: sodium 4-[[6-(4-benzyloxy-6-phenyl-pyrimidin-2-yl)-2-naphthyl]oxy]butanoate CAS Name: sodium 4-[[6-(4-phenyl-6-phenylmethoxy-2-pyrimidinyl)-2-naphthalenyl]oxy]butanoate IUPAC Name: sodium 4-[6-(4-phenyl-6-phenylmethoxypyrimidin-2-yl)naphthalen-2-yl]oxybutanoate Traditional Name: sodium 4-[6-(4-benzoxy-6-phenyl-pyrimidin-2-yl)-2-naphthoxy]butyrate Formula: C31H25N2NaO4 MolecularWeight: 512.53097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=C(C=C5)OCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=C(C=C5)OCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C31H26N2O4.Na/c34-30(35)12-7-17-36-27-16-15-24-18-26(14-13-25(24)19-27)31-32-28(23-10-5-2-6-11-23)20-29(33-31)37-21-22-8-3-1-4-9-22;/h1-6,8-11,13-16,18-20H,7,12,17,21H2,(H,34,35);/q;+1/p-1