(4-cyano-2-ethoxy-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (4-cyano-2-ethoxy-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (4-cyano-2-ethoxy-phenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (4-cyano-2-ethoxyphenyl) ester IUPAC Name: (4-cyano-2-ethoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (4-cyano-2-ethoxy-phenyl) ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H18N2O5/c1-2-27-18-12-14(13-22)9-10-17(18)28-19(24)8-5-11-23-20(25)15-6-3-4-7-16(15)21(23)26/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3