2-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 2-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC2=CC=CC=C2C#N)C

InChI

InChI=1S/C18H17NO2/c1-12-8-9-15(10-13(12)2)18(20)14(3)21-17-7-5-4-6-16(17)11-19/h4-10,14H,1-3H3/t14-/m0/s1