[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H18N4O3/c1-13-11-16(15-7-3-4-8-18(15)25-13)23(29)30-14(2)21(28)17(12-24)22-26-19-9-5-6-10-20(19)27-22/h3-11,14,26-27H,1-2H3/t14-/m1/s1