ethyl (2S)-2-cyano-3-[[4-(piperidin-1-ylmethyl)phenyl]methylimino]propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[[4-(piperidin-1-ylmethyl)phenyl]methylimino]propanoate Openeye Name: ethyl (2S)-2-cyano-3-[[4-(1-piperidylmethyl)phenyl]methylimino]propanoate CAS Name: (2S)-2-cyano-3-[[4-(1-piperidinylmethyl)phenyl]methylimino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[[4-(piperidin-1-ylmethyl)phenyl]methylimino]propanoate Traditional Name: (2S)-2-cyano-3-[4-(piperidinomethyl)benzyl]imino-propionic acid ethyl ester Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC=C(C=C1)CN2CCCCC2)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=CC=C(C=C1)CN2CCCCC2)C#N

InChI

InChI=1S/C19H25N3O2/c1-2-24-19(23)18(12-20)14-21-13-16-6-8-17(9-7-16)15-22-10-4-3-5-11-22/h6-9,14,18H,2-5,10-11,13,15H2,1H3/t18-/m1/s1