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

Systemtic Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoate Openeye Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoate CAS Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoate IUPAC Name: sodium 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoate Traditional Name: sodium 2-[4-[(2-butyl-5-carbethoxy-6-keto-pyrimidin-1-yl)methyl]phenyl]benzoate Formula: C25H25N2NaO5 MolecularWeight: 456.46617

Click to see the large picture

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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5.Na/c1-3-5-10-22-26-15-21(25(31)32-4-2)23(28)27(22)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24(29)30;/h6-9,11-15H,3-5,10,16H2,1-2H3,(H,29,30);/q;+1/p-1