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

Systemtic Name: 3-[4-[1-(tert-butylamino)-2-oxidanyl-propoxy]-3-ethanoyl-phenyl]-1,1-diethyl-urea hydrochloride Openeye Name: 3-[3-acetyl-4-[1-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea hydrochloride CAS Name: 3-[3-acetyl-4-[1-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea hydrochloride IUPAC Name: 3-[3-acetyl-4-[1-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea hydrochloride Traditional Name: 3-[3-acetyl-4-[1-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-1,1-diethyl-urea hydrochloride Formula: C20H34ClN3O4 MolecularWeight: 415.95466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)NC1=CC(=C(C=C1)OC(C(C)O)NC(C)(C)C)C(=O)C.Cl

Isomeric SMILES

CCN(CC)C(=O)NC1=CC(=C(C=C1)OC(C(C)O)NC(C)(C)C)C(=O)C.Cl

InChI

InChI=1S/C20H33N3O4.ClH/c1-8-23(9-2)19(26)21-15-10-11-17(16(12-15)13(3)24)27-18(14(4)25)22-20(5,6)7;/h10-12,14,18,22,25H,8-9H2,1-7H3,(H,21,26);1H