[(1R)-1-cyanoethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-methoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-methoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-(phthalimidomethyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(C=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H16N2O5/c1-12(10-21)27-20(25)16-9-13(7-8-17(16)26-2)11-22-18(23)14-5-3-4-6-15(14)19(22)24/h3-9,12H,11H2,1-2H3/t12-/m1/s1