[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] (2R)-2-(4-fluorophenoxy)propanoate CAS Name: (2R)-2-(4-fluorophenoxy)propanoic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] (2R)-2-(4-fluorophenoxy)propanoate Traditional Name: (2R)-2-(4-fluorophenoxy)propionic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1C)C#N)OC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)OCC(=O)/C(=C/1\NC2=CC=CC=C2N1C)/C#N)OC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O4/c1-13(29-15-9-7-14(22)8-10-15)21(27)28-12-19(26)16(11-23)20-24-17-5-3-4-6-18(17)25(20)2/h3-10,13,24H,12H2,1-2H3/b20-16+/t13-/m1/s1