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

Systemtic Name: methyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenyl-propanoate Openeye Name: methyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenyl-propanoate CAS Name: 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-cyano-3-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-phenylpropanoate Traditional Name: 3-[carbethoxy-(carbethoxyamino)amino]-3-cyano-3-phenyl-propionic acid methyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-4-25-15(22)19-20(16(23)26-5-2)17(12-18,11-14(21)24-3)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,19,22)