(2S)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenoxy]propanoate

Systemtic Name: (2S)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenoxy]propanoate Openeye Name: (2S)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenoxy]propanoate CAS Name: (2S)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]propanoate IUPAC Name: (2S)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]propanoate Traditional Name: (2S)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenoxy]propionate Formula: C19H14N3O3- MolecularWeight: 332.33276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H15N3O3/c1-12(19(23)24)25-15-8-6-13(7-9-15)10-14(11-20)18-21-16-4-2-3-5-17(16)22-18/h2-10,12H,1H3,(H,21,22)(H,23,24)/p-1/b14-10+/t12-/m0/s1