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

Systemtic Name: [(1R)-1-cyanoethyl] 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-benzoate Openeye Name: [(1R)-1-cyanoethyl] 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-ethoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-ethoxybenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate Traditional Name: 2-ethoxy-5-(phthalimidomethyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OC(C)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C21H18N2O5/c1-3-27-18-9-8-14(10-17(18)21(26)28-13(2)11-22)12-23-19(24)15-6-4-5-7-16(15)20(23)25/h4-10,13H,3,12H2,1-2H3/t13-/m1/s1