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

Systemtic Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-4-[4-(4-cyanophenyl)butylamino]-4-oxo-butanoate CAS Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[4-(4-cyanophenyl)butylamino]-4-keto-butyric acid tert-butyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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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)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(=O)NCCCCC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H33N3O5/c1-27(2,3)35-25(32)23(30-26(33)34-19-22-10-5-4-6-11-22)17-24(31)29-16-8-7-9-20-12-14-21(18-28)15-13-20/h4-6,10-15,23H,7-9,16-17,19H2,1-3H3,(H,29,31)(H,30,33)