4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]-3-[(2,6-dimethylphenyl)methoxy]benzoic acid

Systemtic Name: 4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]-3-[(2,6-dimethylphenyl)methoxy]benzoic acid Openeye Name: 4-[(2-butyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]-3-[(2,6-dimethylphenyl)methoxy]benzoic acid CAS Name: 4-[(2-butyl-4-methyl-6-oxo-1-pyrimidinyl)methyl]-3-[(2,6-dimethylphenyl)methoxy]benzoic acid IUPAC Name: 4-[(2-butyl-4-methyl-6-oxopyrimidin-1-yl)methyl]-3-[(2,6-dimethylphenyl)methoxy]benzoic acid Traditional Name: 4-[(2-butyl-6-keto-4-methyl-pyrimidin-1-yl)methyl]-3-(2,6-dimethylbenzyl)oxy-benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=O)N1CC2=C(C=C(C=C2)C(=O)O)OCC3=C(C=CC=C3C)C)C

Isomeric SMILES

CCCCC1=NC(=CC(=O)N1CC2=C(C=C(C=C2)C(=O)O)OCC3=C(C=CC=C3C)C)C

InChI

InChI=1S/C26H30N2O4/c1-5-6-10-24-27-19(4)13-25(29)28(24)15-21-12-11-20(26(30)31)14-23(21)32-16-22-17(2)8-7-9-18(22)3/h7-9,11-14H,5-6,10,15-16H2,1-4H3,(H,30,31)