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

Systemtic Name: 3-cyanopropyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: 3-cyanopropyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-phthalimido-propionic acid 3-cyanopropyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCCCC#N)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCCCC#N)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H18N2O4/c22-12-6-7-13-27-21(26)18(14-15-8-2-1-3-9-15)23-19(24)16-10-4-5-11-17(16)20(23)25/h1-5,8-11,18H,6-7,13-14H2/t18-/m0/s1