tert-butyl 3-cyano-3-[methoxycarbonyl-(methoxycarbonylamino)amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 3-cyano-3-[methoxycarbonyl-(methoxycarbonylamino)amino]-3-phenyl-propanoate Openeye Name: tert-butyl 3-cyano-3-[methoxycarbonyl-(methoxycarbonylamino)amino]-3-phenyl-propanoate CAS Name: 3-cyano-3-[methoxycarbonyl-(methoxycarbonylamino)amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-cyano-3-[methoxycarbonyl-(methoxycarbonylamino)amino]-3-phenylpropanoate Traditional Name: 3-[carbomethoxy-(carbomethoxyamino)amino]-3-cyano-3-phenyl-propionic acid tert-butyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C#N)(C1=CC=CC=C1)N(C(=O)OC)NC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CC(C#N)(C1=CC=CC=C1)N(C(=O)OC)NC(=O)OC

InChI

InChI=1S/C18H23N3O6/c1-17(2,3)27-14(22)11-18(12-19,13-9-7-6-8-10-13)21(16(24)26-5)20-15(23)25-4/h6-10H,11H2,1-5H3,(H,20,23)