tert-butyl N-[3-(3-cyano-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(3-cyano-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-cyano-4-hydroxy-phenyl)methyl]-2-oxo-2-(4-phenylbutylamino)ethyl]carbamate CAS Name: N-[3-(3-cyano-4-hydroxyphenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(3-cyano-4-hydroxyphenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]carbamate Traditional Name: N-[1-(3-cyano-4-hydroxy-benzyl)-2-keto-2-(4-phenylbutylamino)ethyl]carbamic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)C#N)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)C#N)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)32-24(31)28-21(16-19-12-13-22(29)20(15-19)17-26)23(30)27-14-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-13,15,21,29H,7-8,11,14,16H2,1-3H3,(H,27,30)(H,28,31)