2-[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 2-[(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 2-[(2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 2-[(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 2-[(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethoxy]benzonitrile Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)OC3=CC=CC=C3C#N

InChI

InChI=1S/C22H20N2O2/c1-15-13-20(16(2)24(15)19-10-5-4-6-11-19)22(25)17(3)26-21-12-8-7-9-18(21)14-23/h4-13,17H,1-3H3/t17-/m0/s1