2-[4-[(2-butyl-4-methyl-6-oxidanylidene-5-phenyl-pyrimidin-1-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-4-methyl-6-oxidanylidene-5-phenyl-pyrimidin-1-yl)methyl]-2-propyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(2-butyl-4-methyl-6-oxo-5-phenyl-pyrimidin-1-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(2-butyl-4-methyl-6-oxo-5-phenyl-1-pyrimidinyl)methyl]-2-propylphenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(2-butyl-4-methyl-6-oxo-5-phenylpyrimidin-1-yl)methyl]-2-propylphenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(2-butyl-6-keto-4-methyl-5-phenyl-pyrimidin-1-yl)methyl]-2-propyl-phenoxy]-2-phenyl-acetic acid Formula: C33H36N2O4 MolecularWeight: 524.64994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=O)N1CC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)CCC)C4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=NC(=C(C(=O)N1CC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)CCC)C4=CC=CC=C4)C

InChI

InChI=1S/C33H36N2O4/c1-4-6-18-29-34-23(3)30(25-14-9-7-10-15-25)32(36)35(29)22-24-19-20-28(27(21-24)13-5-2)39-31(33(37)38)26-16-11-8-12-17-26/h7-12,14-17,19-21,31H,4-6,13,18,22H2,1-3H3,(H,37,38)