[(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

C[C@@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C20H17N3O4/c1-12(27-20(26)14-8-6-13(11-24)7-9-14)18(25)15(10-21)19-22-16-4-2-3-5-17(16)23-19/h2-9,12,22-24H,11H2,1H3/t12-/m0/s1