tert-butyl N-[[1-[[(E)-but-2-enoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate; methanamide

Systemtic Name: tert-butyl N-[[1-[[(E)-but-2-enoyl]amino]-2-oxidanyl-4-phenyl-butyl]-propan-2-yl-amino]carbamate; methanamide Openeye Name: tert-butyl N-[[1-[[(E)-but-2-enoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamate; formamide CAS Name: formamide; N-[[2-hydroxy-1-[[(E)-1-oxobut-2-enyl]amino]-4-phenylbutyl]-propan-2-ylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[[(E)-but-2-enoyl]amino]-2-hydroxy-4-phenylbutyl]-propan-2-ylamino]carbamate; formamide Traditional Name: N-[[1-[[(E)-but-2-enoyl]amino]-2-hydroxy-4-phenyl-butyl]-isopropyl-amino]carbamic acid tert-butyl ester; formamide Formula: C23H38N4O5 MolecularWeight: 450.57162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O4.CH3NO/c1-7-11-19(27)23-20(18(26)15-14-17-12-9-8-10-13-17)25(16(2)3)24-21(28)29-22(4,5)6;2-1-3/h7-13,16,18,20,26H,14-15H2,1-6H3,(H,23,27)(H,24,28);1H,(H2,2,3)/b11-7+;