ethyl (2R,3R)-3-cyano-2-methyl-3-(1-methylbenzimidazol-2-yl)propanoate

Systemtic Name: ethyl (2R,3R)-3-cyano-2-methyl-3-(1-methylbenzimidazol-2-yl)propanoate Openeye Name: ethyl (2R,3R)-3-cyano-2-methyl-3-(1-methylbenzimidazol-2-yl)propanoate CAS Name: (2R,3R)-3-cyano-2-methyl-3-(1-methyl-2-benzimidazolyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-cyano-2-methyl-3-(1-methylbenzimidazol-2-yl)propanoate Traditional Name: (2R,3R)-3-cyano-2-methyl-3-(1-methylbenzimidazol-2-yl)propionic acid ethyl ester Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(C#N)C1=NC2=CC=CC=C2N1C

Isomeric SMILES

CCOC(=O)[C@H](C)[C@H](C#N)C1=NC2=CC=CC=C2N1C

InChI

InChI=1S/C15H17N3O2/c1-4-20-15(19)10(2)11(9-16)14-17-12-7-5-6-8-13(12)18(14)3/h5-8,10-11H,4H2,1-3H3/t10-,11+/m1/s1