ethyl (2Z)-2-cyano-2-[3-oxidanylidene-2-[(4-pentylphenyl)methyl]isoindol-1-ylidene]ethanoate

Systemtic Name: ethyl (2Z)-2-cyano-2-[3-oxidanylidene-2-[(4-pentylphenyl)methyl]isoindol-1-ylidene]ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[3-oxo-2-[(4-pentylphenyl)methyl]isoindolin-1-ylidene]acetate CAS Name: (2Z)-2-cyano-2-[3-oxo-2-[(4-pentylphenyl)methyl]-1-isoindolylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-[3-oxo-2-[(4-pentylphenyl)methyl]isoindol-1-ylidene]acetate Traditional Name: (2Z)-2-[2-(4-amylbenzyl)-3-keto-isoindolin-1-ylidene]-2-cyano-acetic acid ethyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CN2C(=C(C#N)C(=O)OCC)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CN2/C(=C(/C#N)\C(=O)OCC)/C3=CC=CC=C3C2=O

InChI

InChI=1S/C25H26N2O3/c1-3-5-6-9-18-12-14-19(15-13-18)17-27-23(22(16-26)25(29)30-4-2)20-10-7-8-11-21(20)24(27)28/h7-8,10-15H,3-6,9,17H2,1-2H3/b23-22-