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

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic 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] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-14(2)13-29-17-10-8-16(9-11-17)23(28)30-15(3)21(27)18(12-24)22-25-19-6-4-5-7-20(19)26-22/h4-11,14-15,25-26H,13H2,1-3H3/t15-/m1/s1