tert-butyl N-[(2-oxidanyl-4-phenyl-butyl)-propan-2-yl-amino]carbamate; (E)-pent-2-enediamide

Systemtic Name: tert-butyl N-[(2-oxidanyl-4-phenyl-butyl)-propan-2-yl-amino]carbamate; (E)-pent-2-enediamide Openeye Name: tert-butyl N-[(2-hydroxy-4-phenyl-butyl)-isopropyl-amino]carbamate; (E)-pent-2-enediamide CAS Name: N-[(2-hydroxy-4-phenylbutyl)-propan-2-ylamino]carbamic acid tert-butyl ester; (E)-2-pentenediamide IUPAC Name: tert-butyl N-[(2-hydroxy-4-phenylbutyl)-propan-2-ylamino]carbamate; (E)-pent-2-enediamide Traditional Name: N-[(2-hydroxy-4-phenyl-butyl)-isopropyl-amino]carbamic acid tert-butyl ester; (E)-pent-2-enediamide Formula: C23H38N4O5 MolecularWeight: 450.57162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(CCC1=CC=CC=C1)O)NC(=O)OC(C)(C)C.C(C=CC(=O)N)C(=O)N

Isomeric SMILES

CC(C)N(CC(CCC1=CC=CC=C1)O)NC(=O)OC(C)(C)C.C(/C=C/C(=O)N)C(=O)N

InChI

InChI=1S/C18H30N2O3.C5H8N2O2/c1-14(2)20(19-17(22)23-18(3,4)5)13-16(21)12-11-15-9-7-6-8-10-15;6-4(8)2-1-3-5(7)9/h6-10,14,16,21H,11-13H2,1-5H3,(H,19,22);1-2H,3H2,(H2,6,8)(H2,7,9)/b;2-1+