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

Systemtic Name: 2-[4-[(2-butyl-4-ethoxycarbonyl-5-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-ethoxycarbonyl-5-methyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-ethoxycarbonyl-5-methyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-ethoxycarbonyl-5-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-carbethoxy-6-keto-5-methyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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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)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5/c1-4-6-11-22-27-23(26(32)33-5-2)17(3)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)