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

Systemtic Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-6-keto-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C25H26N2O5 MolecularWeight: 434.48434

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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

Isomeric SMILES

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)OCC

InChI

InChI=1S/C25H26N2O5/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)