ethyl 2-[4-bromanyl-6-[3-(3-methylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanoate

Systemtic Name: ethyl 2-[4-bromanyl-6-[3-(3-methylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanoate Openeye Name: ethyl 2-[[4-bromo-6-[3-(3-methylbutanoyl)benzofuran-2-yl]-2-naphthyl]oxy]acetate CAS Name: 2-[[4-bromo-6-[3-(3-methyl-1-oxobutyl)-2-benzofuranyl]-2-naphthalenyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-6-[3-(3-methylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyacetate Traditional Name: 2-[4-bromo-6-(3-isovalerylbenzofuran-2-yl)-2-naphthoxy]acetic acid ethyl ester Formula: C27H25BrO5 MolecularWeight: 509.3884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC(=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4O3)C(=O)CC(C)C)Br

Isomeric SMILES

CCOC(=O)COC1=CC(=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4O3)C(=O)CC(C)C)Br

InChI

InChI=1S/C27H25BrO5/c1-4-31-25(30)15-32-19-12-17-9-10-18(13-21(17)22(28)14-19)27-26(23(29)11-16(2)3)20-7-5-6-8-24(20)33-27/h5-10,12-14,16H,4,11,15H2,1-3H3