ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]imino-propanoate

Systemtic Name: ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]imino-propanoate Openeye Name: ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]imino-propanoate CAS Name: (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]iminopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]iminopropanoate Traditional Name: (2S)-2-cyano-3-[(2R)-2-(1H-indol-3-yl)-2-phenyl-ethyl]imino-propionic acid ethyl ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(C1=CC=CC=C1)C2=CNC3=CC=CC=C32)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NC[C@H](C1=CC=CC=C1)C2=CNC3=CC=CC=C32)C#N

InChI

InChI=1S/C22H21N3O2/c1-2-27-22(26)17(12-23)13-24-14-19(16-8-4-3-5-9-16)20-15-25-21-11-7-6-10-18(20)21/h3-11,13,15,17,19,25H,2,14H2,1H3/t17-,19-/m1/s1