(E)-3-ethoxy-3-oxidanyl-2-[3-oxidanylidene-2-[(4-pentylphenyl)methyl]-1H-isoindol-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-3-oxidanyl-2-[3-oxidanylidene-2-[(4-pentylphenyl)methyl]-1H-isoindol-1-yl]prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-[3-oxo-2-[(4-pentylphenyl)methyl]isoindolin-1-yl]prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-[3-oxo-2-[(4-pentylphenyl)methyl]-1H-isoindol-1-yl]-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-[3-oxo-2-[(4-pentylphenyl)methyl]-1H-isoindol-1-yl]prop-2-enenitrile Traditional Name: (E)-2-[2-(4-amylbenzyl)-3-keto-isoindolin-1-yl]-3-ethoxy-3-hydroxy-acrylonitrile Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/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/h7-8,10-15,23,29H,3-6,9,17H2,1-2H3/b25-22-