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

Systemtic Name: 2-(1-methylindol-2-yl)-3-oxidanylidene-4-(2,3,6-trimethylphenoxy)butanenitrile Openeye Name: 2-(1-methylindol-2-yl)-3-oxo-4-(2,3,6-trimethylphenoxy)butanenitrile CAS Name: 2-(1-methyl-2-indolyl)-3-oxo-4-(2,3,6-trimethylphenoxy)butanenitrile IUPAC Name: 2-(1-methylindol-2-yl)-3-oxo-4-(2,3,6-trimethylphenoxy)butanenitrile Traditional Name: 3-keto-2-(1-methylindol-2-yl)-4-(2,3,6-trimethylphenoxy)butyronitrile Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OCC(=O)C(C#N)C2=CC3=CC=CC=C3N2C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OCC(=O)C(C#N)C2=CC3=CC=CC=C3N2C)C

InChI

InChI=1S/C22H22N2O2/c1-14-9-10-15(2)22(16(14)3)26-13-21(25)18(12-23)20-11-17-7-5-6-8-19(17)24(20)4/h5-11,18H,13H2,1-4H3