sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoate

Systemtic Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoate Openeye Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoate CAS Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoate IUPAC Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoate Traditional Name: sodium 2-[4-[(2-butyl-5-carbethoxy-6-keto-4-methyl-pyrimidin-1-yl)methyl]phenyl]benzoate Formula: C26H27N2NaO5 MolecularWeight: 470.49275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)[O-])C(=O)OCC)C.[Na+]

Isomeric SMILES

CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)[O-])C(=O)OCC)C.[Na+]

InChI

InChI=1S/C26H28N2O5.Na/c1-4-6-11-22-27-17(3)23(26(32)33-5-2)24(29)28(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25(30)31;/h7-10,12-15H,4-6,11,16H2,1-3H3,(H,30,31);/q;+1/p-1