ethyl N-[(2R)-2-cyano-3-[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]imino-propanoyl]carbamate

Systemtic Name: ethyl N-[(2R)-2-cyano-3-[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]imino-propanoyl]carbamate Openeye Name: ethyl N-[(2R)-3-[(1R)-1-benzyl-2-hydroxy-ethyl]imino-2-cyano-propanoyl]carbamate CAS Name: N-[(2R)-2-cyano-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imino-1-oxopropyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(2R)-2-cyano-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminopropanoyl]carbamate Traditional Name: N-[(2R)-3-[(1R)-1-benzyl-2-hydroxy-ethyl]imino-2-cyano-propanoyl]carbamic acid ethyl ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)NC(=O)[C@H](C=N[C@H](CC1=CC=CC=C1)CO)C#N

InChI

InChI=1S/C16H19N3O4/c1-2-23-16(22)19-15(21)13(9-17)10-18-14(11-20)8-12-6-4-3-5-7-12/h3-7,10,13-14,20H,2,8,11H2,1H3,(H,19,21,22)/t13-,14+/m0/s1