3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea hydrate

Systemtic Name: 3-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea hydrate Openeye Name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea hydrate CAS Name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea hydrate IUPAC Name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea hydrate Traditional Name: 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea hydrate Formula: C20H35N3O5 MolecularWeight: 397.509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.O

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.O

InChI

InChI=1S/C20H33N3O4.H2O/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H2