ethyl (2S)-2-cyano-3-[[4-(dimethylaminomethyl)phenyl]methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[[4-(dimethylaminomethyl)phenyl]methylimino]propanoate Openeye Name: ethyl (2S)-2-cyano-3-[[4-(dimethylaminomethyl)phenyl]methylimino]propanoate CAS Name: (2S)-2-cyano-3-[[4-(dimethylaminomethyl)phenyl]methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[[4-(dimethylaminomethyl)phenyl]methylimino]propanoate Traditional Name: (2S)-2-cyano-3-[4-(dimethylaminomethyl)benzyl]imino-propionic acid ethyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC=C(C=C1)CN(C)C)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=CC=C(C=C1)CN(C)C)C#N

InChI

InChI=1S/C16H21N3O2/c1-4-21-16(20)15(9-17)11-18-10-13-5-7-14(8-6-13)12-19(2)3/h5-8,11,15H,4,10,12H2,1-3H3/t15-/m1/s1