[2-butyl-6-cyano-4-(3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl)-3,4-dihydro-2H-chromen-3-yl] ethanoate

Systemtic Name: [2-butyl-6-cyano-4-(3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl)-3,4-dihydro-2H-chromen-3-yl] ethanoate Openeye Name: [2-butyl-6-cyano-4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)chroman-3-yl] acetate CAS Name: acetic acid [2-butyl-6-cyano-4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [2-butyl-6-cyano-4-(3-ethoxy-5-oxo-2H-pyrrol-1-yl)-3,4-dihydro-2H-chromen-3-yl] acetate Traditional Name: acetic acid [2-butyl-6-cyano-4-(4-ethoxy-2-keto-3-pyrrolin-1-yl)chroman-3-yl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2=C(O1)C=CC(=C2)C#N)N3CC(=CC3=O)OCC)OC(=O)C

Isomeric SMILES

CCCCC1C(C(C2=C(O1)C=CC(=C2)C#N)N3CC(=CC3=O)OCC)OC(=O)C

InChI

InChI=1S/C22H26N2O5/c1-4-6-7-19-22(28-14(3)25)21(24-13-16(27-5-2)11-20(24)26)17-10-15(12-23)8-9-18(17)29-19/h8-11,19,21-22H,4-7,13H2,1-3H3