tert-butyl N-[1-[(1-cyano-2-oxidanyl-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(1-cyano-2-oxidanyl-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[(1-cyano-2-hydroxy-ethyl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(1-cyano-2-hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-cyano-2-hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[(1-cyano-2-hydroxy-ethyl)amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C#N

InChI

InChI=1S/C17H23N3O4/c1-17(2,3)24-16(23)20-14(9-12-7-5-4-6-8-12)15(22)19-13(10-18)11-21/h4-8,13-14,21H,9,11H2,1-3H3,(H,19,22)(H,20,23)