4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoic acid

Systemtic Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoic acid Openeye Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(3-phenylpropanoylamino)butanoic acid CAS Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-[(1-oxo-3-phenylpropyl)amino]butanoic acid IUPAC Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(3-phenylpropanoylamino)butanoic acid Traditional Name: 4-[4-(4-cyanophenyl)butylamino]-2-(hydrocinnamoylamino)-4-keto-butyric acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c25-17-20-11-9-19(10-12-20)8-4-5-15-26-23(29)16-21(24(30)31)27-22(28)14-13-18-6-2-1-3-7-18/h1-3,6-7,9-12,21H,4-5,8,13-16H2,(H,26,29)(H,27,28)(H,30,31)