ethyl (2R)-2-cyano-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]imino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]imino-propanoate Openeye Name: ethyl (2R)-2-cyano-3-[(2S)-2-(4-fluorophenyl)-2-morpholino-ethyl]imino-propanoate CAS Name: (2R)-2-cyano-3-[(2S)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]iminopropanoate Traditional Name: (2R)-2-cyano-3-[(2S)-2-(4-fluorophenyl)-2-morpholino-ethyl]imino-propionic acid ethyl ester Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=C(C=C1)F)N2CCOCC2)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=NC[C@H](C1=CC=C(C=C1)F)N2CCOCC2)C#N

InChI

InChI=1S/C18H22FN3O3/c1-2-25-18(23)15(11-20)12-21-13-17(22-7-9-24-10-8-22)14-3-5-16(19)6-4-14/h3-6,12,15,17H,2,7-10,13H2,1H3/t15-,17+/m0/s1