[6-cyano-2,2-dimethyl-4-(3-octoxy-5-oxidanylidene-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-cyano-2,2-dimethyl-4-(3-octoxy-5-oxidanylidene-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-cyano-2,2-dimethyl-4-(3-octoxy-5-oxo-2H-pyrrol-1-yl)chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-2,2-dimethyl-4-(3-octoxy-5-oxo-2H-pyrrol-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-(3-octoxy-5-oxo-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-(2-keto-4-octoxy-3-pyrrolin-1-yl)-2,2-dimethyl-chroman-3-yl] ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)OC(=O)C

InChI

InChI=1S/C26H34N2O5/c1-5-6-7-8-9-10-13-31-20-15-23(30)28(17-20)24-21-14-19(16-27)11-12-22(21)33-26(3,4)25(24)32-18(2)29/h11-12,14-15,24-25H,5-10,13,17H2,1-4H3