(2R)-2-(1H-benzimidazol-2-yl)-4-[(3,3-dimethyl-2H-1-benzofuran-7-yl)oxy]-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-2-(1H-benzimidazol-2-yl)-4-[(3,3-dimethyl-2H-1-benzofuran-7-yl)oxy]-3-oxidanylidene-butanenitrile Openeye Name: (2R)-2-(1H-benzimidazol-2-yl)-4-[(3,3-dimethyl-2H-benzofuran-7-yl)oxy]-3-oxo-butanenitrile CAS Name: (2R)-2-(1H-benzimidazol-2-yl)-4-[(3,3-dimethyl-2H-benzofuran-7-yl)oxy]-3-oxobutanenitrile IUPAC Name: (2R)-2-(1H-benzimidazol-2-yl)-4-[(3,3-dimethyl-2H-1-benzofuran-7-yl)oxy]-3-oxobutanenitrile Traditional Name: (2R)-2-(1H-benzimidazol-2-yl)-4-(3,3-dimethylcoumaran-7-yl)oxy-3-keto-butyronitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=CC=C2OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1(COC2=C1C=CC=C2OCC(=O)[C@H](C#N)C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C21H19N3O3/c1-21(2)12-27-19-14(21)6-5-9-18(19)26-11-17(25)13(10-22)20-23-15-7-3-4-8-16(15)24-20/h3-9,13H,11-12H2,1-2H3,(H,23,24)/t13-/m0/s1