4-[(2S,3S)-4-oxidanylidene-2-(phenylcarbonyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-3-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S,3S)-4-oxidanylidene-2-(phenylcarbonyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-3-yl]benzenecarbonitrile Openeye Name: 4-[(2S,3S)-2-benzoyl-4-oxo-3,5,6,7-tetrahydro-2H-benzofuran-3-yl]benzonitrile CAS Name: 4-[(2S,3S)-2-benzoyl-4-oxo-3,5,6,7-tetrahydro-2H-benzofuran-3-yl]benzonitrile IUPAC Name: 4-[(2S,3S)-2-benzoyl-4-oxo-3,5,6,7-tetrahydro-2H-1-benzofuran-3-yl]benzonitrile Traditional Name: 4-[(2S,3S)-2-benzoyl-4-keto-3,5,6,7-tetrahydro-2H-benzofuran-3-yl]benzonitrile Formula: C22H17NO3 MolecularWeight: 343.37528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(O2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H]([C@H](O2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N)C(=O)C1

InChI

InChI=1S/C22H17NO3/c23-13-14-9-11-15(12-10-14)19-20-17(24)7-4-8-18(20)26-22(19)21(25)16-5-2-1-3-6-16/h1-3,5-6,9-12,19,22H,4,7-8H2/t19-,22-/m0/s1