2-[2-butyl-4-chloranyl-6-[[4-(2-cyanophenyl)phenyl]methyl]-3-ethyl-4H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-4-chloranyl-6-[[4-(2-cyanophenyl)phenyl]methyl]-3-ethyl-4H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-butyl-4-chloro-6-[[4-(2-cyanophenyl)phenyl]methyl]-3-ethyl-4H-pyrimidin-5-yl]acetic acid CAS Name: 2-[2-butyl-4-chloro-6-[[4-(2-cyanophenyl)phenyl]methyl]-3-ethyl-4H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[2-butyl-4-chloro-6-[[4-(2-cyanophenyl)phenyl]methyl]-3-ethyl-4H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-butyl-4-chloro-6-[4-(2-cyanophenyl)benzyl]-3-ethyl-4H-pyrimidin-5-yl]acetic acid Formula: C26H28ClN3O2 MolecularWeight: 449.97242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(N1CC)Cl)CC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=NC(=C(C(N1CC)Cl)CC(=O)O)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H28ClN3O2/c1-3-5-10-24-29-23(22(16-25(31)32)26(27)30(24)4-2)15-18-11-13-19(14-12-18)21-9-7-6-8-20(21)17-28/h6-9,11-14,26H,3-5,10,15-16H2,1-2H3,(H,31,32)