3-chloranyl-4-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 3-chloro-4-[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 3-chloro-4-[(1S)-2-keto-1-methyl-2-p-phenetyl-ethoxy]benzonitrile Formula: C18H16ClNO3 MolecularWeight: 329.77754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H16ClNO3/c1-3-22-15-7-5-14(6-8-15)18(21)12(2)23-17-9-4-13(11-20)10-16(17)19/h4-10,12H,3H2,1-2H3/t12-/m0/s1