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

Systemtic Name: (4-cyanophenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (4-cyanophenyl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-phthalimido-propionic acid (4-cyanobenzyl) ester Formula: C25H18N2O4 MolecularWeight: 410.42142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)C#N)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)C#N)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H18N2O4/c26-15-18-10-12-19(13-11-18)16-31-25(30)22(14-17-6-2-1-3-7-17)27-23(28)20-8-4-5-9-21(20)24(27)29/h1-13,22H,14,16H2/t22-/m0/s1