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

Systemtic Name: 2-[4-[[2-butyl-5-(2-chlorophenyl)-6-oxidanylidene-pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[[2-butyl-5-(2-chlorophenyl)-6-oxo-pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[[2-butyl-5-(2-chlorophenyl)-6-oxo-1-pyrimidinyl]methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[[2-butyl-5-(2-chlorophenyl)-6-oxopyrimidin-1-yl]methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[[2-butyl-5-(2-chlorophenyl)-6-keto-pyrimidin-1-yl]methyl]phenoxy]-2-phenyl-acetic acid Formula: C29H27ClN2O4 MolecularWeight: 502.98868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCC1=NC=C(C(=O)N1CC2=CC=C(C=C2)OC(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C29H27ClN2O4/c1-2-3-13-26-31-18-24(23-11-7-8-12-25(23)30)28(33)32(26)19-20-14-16-22(17-15-20)36-27(29(34)35)21-9-5-4-6-10-21/h4-12,14-18,27H,2-3,13,19H2,1H3,(H,34,35)