1-oxidanyl-1-[4-(3-pyridin-3-yloxyphenoxy)but-2-ynyl]urea

Systemtic Name: 1-oxidanyl-1-[4-(3-pyridin-3-yloxyphenoxy)but-2-ynyl]urea Openeye Name: 1-hydroxy-1-[4-[3-(3-pyridyloxy)phenoxy]but-2-ynyl]urea CAS Name: 1-hydroxy-1-[4-[3-(3-pyridinyloxy)phenoxy]but-2-ynyl]urea IUPAC Name: 1-hydroxy-1-[4-(3-pyridin-3-yloxyphenoxy)but-2-ynyl]urea Traditional Name: 1-hydroxy-1-[4-[3-(3-pyridyloxy)phenoxy]but-2-ynyl]urea Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC#CCN(C(=O)N)O)OC2=CN=CC=C2

Isomeric SMILES

C1=CC(=CC(=C1)OCC#CCN(C(=O)N)O)OC2=CN=CC=C2

InChI

InChI=1S/C16H15N3O4/c17-16(20)19(21)9-1-2-10-22-13-5-3-6-14(11-13)23-15-7-4-8-18-12-15/h3-8,11-12,21H,9-10H2,(H2,17,20)