2-butyl-6-chloranyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-4-phenyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-butyl-6-chloranyl-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-4-phenyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-6-chloro-4-phenyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-6-chloro-3-[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]-4-phenyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-butyl-6-chloro-3-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]-4-phenyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-[4-(2-tert-butoxycarbonylphenyl)phenyl]-2-butyl-6-chloro-4-phenyl-4H-pyrimidine-5-carboxylic acid Formula: C32H33ClN2O4 MolecularWeight: 545.06842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(N1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C4=CC=CC=C4)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(C(N1C2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)C4=CC=CC=C4)C(=O)O)Cl

InChI

InChI=1S/C32H33ClN2O4/c1-5-6-16-26-34-29(33)27(30(36)37)28(22-12-8-7-9-13-22)35(26)23-19-17-21(18-20-23)24-14-10-11-15-25(24)31(38)39-32(2,3)4/h7-15,17-20,28H,5-6,16H2,1-4H3,(H,36,37)