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

Systemtic Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]phenyl]benzoate Openeye Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]phenyl]benzoate CAS Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-4-phenyl-1-pyrimidinyl)methyl]phenyl]benzoate IUPAC Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]phenyl]benzoate Traditional Name: sodium 2-[4-[(2-butyl-5-carbethoxy-6-keto-4-phenyl-pyrimidin-1-yl)methyl]phenyl]benzoate Formula: C31H29N2NaO5 MolecularWeight: 532.56213

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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)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)[O-])C(=O)OCC)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C31H30N2O5.Na/c1-3-5-15-26-32-28(23-11-7-6-8-12-23)27(31(37)38-4-2)29(34)33(26)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)30(35)36;/h6-14,16-19H,3-5,15,20H2,1-2H3,(H,35,36);/q;+1/p-1