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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC2=CC=CC(=C2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H17NO2/c1-3-14-7-9-16(10-8-14)18(20)13(2)21-17-6-4-5-15(11-17)12-19/h4-11,13H,3H2,1-2H3/t13-/m0/s1