N-[2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-bis(oxidanylidene)isoindol-4-yl]ethanamide

Systemtic Name: N-[2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-bis(oxidanylidene)isoindol-4-yl]ethanamide Openeye Name: N-[2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-dioxo-isoindolin-4-yl]acetamide CAS Name: N-[2-[2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethyl]-1,3-dioxo-4-isoindolyl]acetamide IUPAC Name: N-[2-[2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethyl]-1,3-dioxoisoindol-4-yl]acetamide Traditional Name: N-[2-[2-cyano-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-1,3-diketo-isoindolin-4-yl]acetamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

InChI

InChI=1S/C22H21N3O5/c1-4-30-19-12-14(8-9-18(19)29-3)17(10-11-23)25-21(27)15-6-5-7-16(24-13(2)26)20(15)22(25)28/h5-9,12,17H,4,10H2,1-3H3,(H,24,26)