tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoate

Systemtic Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoate Openeye Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(3-phenylpropanoylamino)butanoate CAS Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-[(1-oxo-3-phenylpropyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(3-phenylpropanoylamino)butanoate Traditional Name: 4-[4-(4-cyanophenyl)butylamino]-2-(hydrocinnamoylamino)-4-keto-butyric acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(=O)NCCCCC1=CC=C(C=C1)C#N)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(=O)NCCCCC1=CC=C(C=C1)C#N)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C28H35N3O4/c1-28(2,3)35-27(34)24(31-25(32)17-16-21-9-5-4-6-10-21)19-26(33)30-18-8-7-11-22-12-14-23(20-29)15-13-22/h4-6,9-10,12-15,24H,7-8,11,16-19H2,1-3H3,(H,30,33)(H,31,32)