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

Systemtic Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-4-phenyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-4-phenyl-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-6-oxo-4-phenylpyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-6-keto-4-phenyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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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

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

InChI

InChI=1S/C31H30N2O5/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)