tert-butyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenyl-propanoate Openeye Name: tert-butyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenyl-propanoate CAS Name: 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenylpropanoate Traditional Name: 3-[carbethoxy-(carbethoxyamino)amino]-3-cyano-3-phenyl-propionic acid tert-butyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C(=O)OCC)C(CC(=O)OC(C)(C)C)(C#N)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)NN(C(=O)OCC)C(CC(=O)OC(C)(C)C)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C20H27N3O6/c1-6-27-17(25)22-23(18(26)28-7-2)20(14-21,15-11-9-8-10-12-15)13-16(24)29-19(3,4)5/h8-12H,6-7,13H2,1-5H3,(H,22,25)