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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)OC(=O)C

Isomeric SMILES

CC(C)COC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)OC(=O)C

InChI

InChI=1S/C22H26N2O5/c1-13(2)12-27-16-9-19(26)24(11-16)20-17-8-15(10-23)6-7-18(17)29-22(4,5)21(20)28-14(3)25/h6-9,13,20-21H,11-12H2,1-5H3