ethyl (2S)-2-cyano-3-[(1R)-3-methyl-1-phenyl-butyl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(1R)-3-methyl-1-phenyl-butyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(1R)-3-methyl-1-phenyl-butyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(1R)-3-methyl-1-phenylbutyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(1R)-3-methyl-1-phenylbutyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(1R)-3-methyl-1-phenyl-butyl]imino-propionic acid ethyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2/c1-4-21-17(20)15(11-18)12-19-16(10-13(2)3)14-8-6-5-7-9-14/h5-9,12-13,15-16H,4,10H2,1-3H3/t15-,16-/m1/s1