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

Systemtic Name: 3-[6-[3-[(5-oxidanylidene-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[3-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[3-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[3-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[3-[(4-keto-2-imidazolin-2-yl)amino]propoxy]-1H-indol-3-yl]-3-phenyl-propionic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4/c28-21-14-26-23(27-21)24-9-4-10-31-16-7-8-17-19(13-25-20(17)11-16)18(12-22(29)30)15-5-2-1-3-6-15/h1-3,5-8,11,13,18,25H,4,9-10,12,14H2,(H,29,30)(H2,24,26,27,28)