3-phenyl-3-[6-[3-(pyrimidin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-phenyl-3-[6-[3-(pyrimidin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-phenyl-3-[6-[3-(pyrimidin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-phenyl-3-[6-[3-(2-pyrimidinylamino)propoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-phenyl-3-[6-[3-(pyrimidin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-phenyl-3-[6-[3-(2-pyrimidylamino)propoxy]-1H-indol-3-yl]propionic acid Formula: C24H24N4O3 MolecularWeight: 416.47236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CC=N4

InChI

InChI=1S/C24H24N4O3/c29-23(30)15-20(17-6-2-1-3-7-17)21-16-28-22-14-18(8-9-19(21)22)31-13-5-12-27-24-25-10-4-11-26-24/h1-4,6-11,14,16,20,28H,5,12-13,15H2,(H,29,30)(H,25,26,27)