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

Systemtic Name: ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]imino-2-cyano-propanoate Openeye Name: ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]imino-2-cyano-propanoate CAS Name: (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]imino-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]imino-2-cyanopropanoate Traditional Name: (2R)-3-[(1S)-1-(1H-benzimidazol-2-yl)-2-methyl-propyl]imino-2-cyano-propionic acid ethyl ester Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(C1=NC2=CC=CC=C2N1)C(C)C)C#N

Isomeric SMILES

CCOC(=O)[C@H](C=N[C@H](C1=NC2=CC=CC=C2N1)C(C)C)C#N

InChI

InChI=1S/C17H20N4O2/c1-4-23-17(22)12(9-18)10-19-15(11(2)3)16-20-13-7-5-6-8-14(13)21-16/h5-8,10-12,15H,4H2,1-3H3,(H,20,21)/t12-,15-/m0/s1