3-[6-[3-[(5-oxidanylidene-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-pyridin-4-yl-propanoic acid

Systemtic Name: 3-[6-[3-[(5-oxidanylidene-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-pyridin-4-yl-propanoic acid Openeye Name: 3-[6-[3-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-(4-pyridyl)propanoic acid CAS Name: 3-[6-[3-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-pyridin-4-ylpropanoic acid IUPAC Name: 3-[6-[3-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-pyridin-4-ylpropanoic acid Traditional Name: 3-[6-[3-[(4-keto-2-imidazolin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-(4-pyridyl)propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=N1)NCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1C(=O)NC(=N1)NCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O4/c28-20-13-26-22(27-20)24-6-1-9-31-15-2-3-16-18(12-25-19(16)10-15)17(11-21(29)30)14-4-7-23-8-5-14/h2-5,7-8,10,12,17,25H,1,6,9,11,13H2,(H,29,30)(H2,24,26,27,28)