2-[(3R,4S)-1-(4-methoxyphenyl)-2-oxidanylidene-4-(2-phenylethynyl)azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(3R,4S)-1-(4-methoxyphenyl)-2-oxidanylidene-4-(2-phenylethynyl)azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[(3R,4S)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethynyl)azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[(3R,4S)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethynyl)-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[(3R,4S)-1-(4-methoxyphenyl)-2-oxo-4-(2-phenylethynyl)azetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[(3R,4S)-2-keto-1-(4-methoxyphenyl)-4-(2-phenylethynyl)azetidin-3-yl]isoindoline-1,3-quinone Formula: C26H18N2O4 MolecularWeight: 422.43212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C#CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)N3C(=O)C4=CC=CC=C4C3=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H18N2O4/c1-32-19-14-12-18(13-15-19)27-22(16-11-17-7-3-2-4-8-17)23(26(27)31)28-24(29)20-9-5-6-10-21(20)25(28)30/h2-10,12-15,22-23H,1H3/t22-,23+/m0/s1