[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-phenoxypropanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] (2R)-2-phenoxypropanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4/c1-13(27-14-7-3-2-4-8-14)20(25)26-12-18(24)15(11-21)19-22-16-9-5-6-10-17(16)23-19/h2-10,13,22-23H,12H2,1H3/t13-/m1/s1