4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; 1-dodecylazepan-2-one; urea

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; 1-dodecylazepan-2-one; urea Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; 1-dodecylazepan-2-one; urea CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; 1-dodecyl-2-azepanone; urea IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; 1-dodecylazepan-2-one; urea Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; 1-laurylazepan-2-one; urea Formula: C32H60N4O5 MolecularWeight: 580.8426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCCCCC1=O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.C(=O)(N)N

Isomeric SMILES

CCCCCCCCCCCCN1CCCCCC1=O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.C(=O)(N)N

InChI

InChI=1S/C18H35NO.C13H21NO3.CH4N2O/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20;1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;2-1(3)4/h2-17H2,1H3;4-6,12,14-17H,7-8H2,1-3H3;(H4,2,3,4)