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

Systemtic Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]propanoate Openeye Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]propanoate CAS Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]propanoate IUPAC Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]propanoate Traditional Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]propionate Formula: C20H16N3O4- MolecularWeight: 362.35874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c1-12(20(24)25)27-17-8-7-13(10-18(17)26-2)9-14(11-21)19-22-15-5-3-4-6-16(15)23-19/h3-10,12H,1-2H3,(H,22,23)(H,24,25)/p-1/b14-9+/t12-/m1/s1