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

Systemtic Name: ethyl (2S)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]imino-2-cyano-propanoate Openeye Name: ethyl (2S)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]imino-2-cyano-propanoate CAS Name: (2S)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]imino-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]imino-2-cyanopropanoate Traditional Name: (2S)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]imino-2-cyano-propionic acid ethyl ester Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(CC1=CC=CC=C1)C2=NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=N[C@@H](CC1=CC=CC=C1)C2=NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C21H20N4O2/c1-2-27-21(26)16(13-22)14-23-19(12-15-8-4-3-5-9-15)20-24-17-10-6-7-11-18(17)25-20/h3-11,14,16,19H,2,12H2,1H3,(H,24,25)/t16-,19+/m1/s1