N-[(4-cyano-2-oxidanyl-phenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanamide

Systemtic Name: N-[(4-cyano-2-oxidanyl-phenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxidanylidene-1H-isoindol-2-yl)ethanamide Openeye Name: N-[(4-cyano-2-hydroxy-phenyl)methyl]-2-ethoxy-2-(5-methoxy-1-oxo-isoindolin-2-yl)acetamide CAS Name: N-[(4-cyano-2-hydroxyphenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: N-[(4-cyano-2-hydroxyphenyl)methyl]-2-ethoxy-2-(6-methoxy-3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: N-(4-cyano-2-hydroxy-benzyl)-2-ethoxy-2-(1-keto-5-methoxy-isoindolin-2-yl)acetamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)NCC1=C(C=C(C=C1)C#N)O)N2CC3=C(C2=O)C=CC(=C3)OC

Isomeric SMILES

CCOC(C(=O)NCC1=C(C=C(C=C1)C#N)O)N2CC3=C(C2=O)C=CC(=C3)OC

InChI

InChI=1S/C21H21N3O5/c1-3-29-21(19(26)23-11-14-5-4-13(10-22)8-18(14)25)24-12-15-9-16(28-2)6-7-17(15)20(24)27/h4-9,21,25H,3,11-12H2,1-2H3,(H,23,26)