2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-4-(2,3,6-trimethylphenoxy)butanenitrile

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-4-(2,3,6-trimethylphenoxy)butanenitrile Openeye Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-4-(2,3,6-trimethylphenoxy)butanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-3-oxo-4-(2,3,6-trimethylphenoxy)butanenitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-4-(2,3,6-trimethylphenoxy)butanenitrile Traditional Name: 3-keto-2-(1-methylbenzimidazol-2-yl)-4-(2,3,6-trimethylphenoxy)butyronitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2C)C

InChI

InChI=1S/C21H21N3O2/c1-13-9-10-14(2)20(15(13)3)26-12-19(25)16(11-22)21-23-17-7-5-6-8-18(17)24(21)4/h5-10,16H,12H2,1-4H3