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

Systemtic Name: 2-[4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenoxy]-2-naphthalen-1-yl-ethanoic acid Openeye Name: 2-[4-[(2-butyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]phenoxy]-2-(1-naphthyl)acetic acid CAS Name: 2-[4-[(2-butyl-4-methyl-6-oxo-1-pyrimidinyl)methyl]phenoxy]-2-(1-naphthalenyl)acetic acid IUPAC Name: 2-[4-[(2-butyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenoxy]-2-naphthalen-1-ylacetic acid Traditional Name: 2-[4-[(2-butyl-6-keto-4-methyl-pyrimidin-1-yl)methyl]phenoxy]-2-(1-naphthyl)acetic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=O)N1CC2=CC=C(C=C2)OC(C3=CC=CC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CCCCC1=NC(=CC(=O)N1CC2=CC=C(C=C2)OC(C3=CC=CC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C28H28N2O4/c1-3-4-12-25-29-19(2)17-26(31)30(25)18-20-13-15-22(16-14-20)34-27(28(32)33)24-11-7-9-21-8-5-6-10-23(21)24/h5-11,13-17,27H,3-4,12,18H2,1-2H3,(H,32,33)