ethyl 5-[[2-hexyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-pentanoate

Systemtic Name: ethyl 5-[[2-hexyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-pentanoate Openeye Name: ethyl 5-[[2-hexyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-pentanoate CAS Name: 5-[[2-hexyl-3-(1-methyl-2-imidazolyl)-2H-1-benzopyran-6-yl]oxy]-2,2-dimethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-hexyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethylpentanoate Traditional Name: 5-[[2-hexyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-valeric acid ethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=CC2=C(O1)C=CC(=C2)OCCCC(C)(C)C(=O)OCC)C3=NC=CN3C

Isomeric SMILES

CCCCCCC1C(=CC2=C(O1)C=CC(=C2)OCCCC(C)(C)C(=O)OCC)C3=NC=CN3C

InChI

InChI=1S/C28H40N2O4/c1-6-8-9-10-12-25-23(26-29-16-17-30(26)5)20-21-19-22(13-14-24(21)34-25)33-18-11-15-28(3,4)27(31)32-7-2/h13-14,16-17,19-20,25H,6-12,15,18H2,1-5H3