2-[4-[(2-butyl-5-ethoxycarbonyl-4,6-dimethyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4,6-dimethyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4,6-dimethyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4,6-dimethyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-5-ethoxycarbonyl-4,6-dimethyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbethoxy-4,6-dimethyl-4H-pyrimidin-3-yl)methyl]phenyl]benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)C(=O)OCC)C

Isomeric SMILES

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)C(=O)OCC)C

InChI

InChI=1S/C27H32N2O4/c1-5-7-12-24-28-18(3)25(27(32)33-6-2)19(4)29(24)17-20-13-15-21(16-14-20)22-10-8-9-11-23(22)26(30)31/h8-11,13-16,19H,5-7,12,17H2,1-4H3,(H,30,31)