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

Systemtic Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-[4-(4-cyanophenyl)butylamino]-4-oxo-butanoic acid CAS Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-[4-(4-cyanophenyl)butylamino]-4-keto-butyric acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c24-15-18-11-9-17(10-12-18)6-4-5-13-25-21(27)14-20(22(28)29)26-23(30)31-16-19-7-2-1-3-8-19/h1-3,7-12,20H,4-6,13-14,16H2,(H,25,27)(H,26,30)(H,28,29)