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

Systemtic Name: sodium 4-[4-[4-(cyclohexylmethoxy)-6-phenyl-pyrimidin-2-yl]phenoxy]butanoate Openeye Name: sodium 4-[4-[4-(cyclohexylmethoxy)-6-phenyl-pyrimidin-2-yl]phenoxy]butanoate CAS Name: sodium 4-[4-[4-(cyclohexylmethoxy)-6-phenyl-2-pyrimidinyl]phenoxy]butanoate IUPAC Name: sodium 4-[4-[4-(cyclohexylmethoxy)-6-phenylpyrimidin-2-yl]phenoxy]butanoate Traditional Name: sodium 4-[4-[4-(cyclohexylmethoxy)-6-phenyl-pyrimidin-2-yl]phenoxy]butyrate Formula: C27H29N2NaO4 MolecularWeight: 468.51993

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C27H30N2O4.Na/c30-26(31)12-7-17-32-23-15-13-22(14-16-23)27-28-24(21-10-5-2-6-11-21)18-25(29-27)33-19-20-8-3-1-4-9-20;/h2,5-6,10-11,13-16,18,20H,1,3-4,7-9,12,17,19H2,(H,30,31);/q;+1/p-1