(phenylmethyl) 4-[(4-cyanophenyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) 4-[(4-cyanophenyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-oxo-butanoate CAS Name: 4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-keto-butyric acid benzyl ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H23N3O5/c27-16-19-11-13-22(14-12-19)28-25(31)23(15-24(30)33-17-20-7-3-1-4-8-20)29-26(32)34-18-21-9-5-2-6-10-21/h1-14,23H,15,17-18H2,(H,28,31)(H,29,32)