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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2C#N)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2C#N)N3C(=O)C4=CC=CC=C4C3=O

InChI

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