phenacyl (3S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: phenacyl (3S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: phenacyl (3S)-3-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (3S)-3-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid phenacyl ester IUPAC Name: phenacyl (3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (3S)-3-phenyl-3-phthalimido-propionic acid phenacyl ester Formula: C25H19NO5 MolecularWeight: 413.42206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H19NO5/c27-22(18-11-5-2-6-12-18)16-31-23(28)15-21(17-9-3-1-4-10-17)26-24(29)19-13-7-8-14-20(19)25(26)30/h1-14,21H,15-16H2/t21-/m0/s1