3-[4-[[4-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 3-[4-[[4-(1H-imidazol-2-ylamino)phenyl]carbonylamino]phenoxy]-3-phenyl-propanoic acid Openeye Name: 3-[4-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenoxy]-3-phenyl-propanoic acid CAS Name: 3-[4-[[[4-(1H-imidazol-2-ylamino)phenyl]-oxomethyl]amino]phenoxy]-3-phenylpropanoic acid IUPAC Name: 3-[4-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenoxy]-3-phenylpropanoic acid Traditional Name: 3-[4-[[4-(1H-imidazol-2-ylamino)benzoyl]amino]phenoxy]-3-phenyl-propionic acid Formula: C25H22N4O4 MolecularWeight: 442.46658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=NC=CN4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=NC=CN4

InChI

InChI=1S/C25H22N4O4/c30-23(31)16-22(17-4-2-1-3-5-17)33-21-12-10-19(11-13-21)28-24(32)18-6-8-20(9-7-18)29-25-26-14-15-27-25/h1-15,22H,16H2,(H,28,32)(H,30,31)(H2,26,27,29)