1-[4-[3-[(1-oxidanyl-2H-pyridin-6-yl)oxy]phenoxy]but-2-ynyl]urea

Systemtic Name: 1-[4-[3-[(1-oxidanyl-2H-pyridin-6-yl)oxy]phenoxy]but-2-ynyl]urea Openeye Name: 4-[3-[(1-hydroxy-2H-pyridin-6-yl)oxy]phenoxy]but-2-ynylurea CAS Name: 4-[3-[(1-hydroxy-2H-pyridin-6-yl)oxy]phenoxy]but-2-ynylurea IUPAC Name: 4-[3-[(1-hydroxy-2H-pyridin-6-yl)oxy]phenoxy]but-2-ynylurea Traditional Name: 4-[3-[(1-hydroxy-2H-pyridin-6-yl)oxy]phenoxy]but-2-ynylurea Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(N1O)OC2=CC(=CC=C2)OCC#CCNC(=O)N

Isomeric SMILES

C1C=CC=C(N1O)OC2=CC(=CC=C2)OCC#CCNC(=O)N

InChI

InChI=1S/C16H17N3O4/c17-16(20)18-9-2-4-11-22-13-6-5-7-14(12-13)23-15-8-1-3-10-19(15)21/h1,3,5-8,12,21H,9-11H2,(H3,17,18,20)