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

Systemtic Name: ethyl 2-cyano-2-[1-cyano-3-oxidanylidene-2-[(4-pentylphenyl)methyl]isoindol-1-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[1-cyano-3-oxo-2-[(4-pentylphenyl)methyl]isoindolin-1-yl]acetate CAS Name: 2-cyano-2-[1-cyano-3-oxo-2-[(4-pentylphenyl)methyl]-1-isoindolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[1-cyano-3-oxo-2-[(4-pentylphenyl)methyl]isoindol-1-yl]acetate Traditional Name: 2-[2-(4-amylbenzyl)-1-cyano-3-keto-isoindolin-1-yl]-2-cyano-acetic acid ethyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3/c1-3-5-6-9-19-12-14-20(15-13-19)17-29-24(30)21-10-7-8-11-22(21)26(29,18-28)23(16-27)25(31)32-4-2/h7-8,10-15,23H,3-6,9,17H2,1-2H3