ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)butanoylamino]benzoate CAS Name: 4-[[2-(4,6-diphenyl-2-pyrimidinyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6-diphenylpyrimidin-2-yl)butanoylamino]benzoate Traditional Name: 4-[2-(4,6-diphenylpyrimidin-2-yl)butanoylamino]benzoic acid ethyl ester Formula: C29H27N3O3 MolecularWeight: 465.54298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCC(C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C29H27N3O3/c1-3-24(28(33)30-23-17-15-22(16-18-23)29(34)35-4-2)27-31-25(20-11-7-5-8-12-20)19-26(32-27)21-13-9-6-10-14-21/h5-19,24H,3-4H2,1-2H3,(H,30,33)