methyl 5-bromanyl-3-[2-(3,4-diethoxyphenyl)ethanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-(3,4-diethoxyphenyl)ethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[2-(3,4-diethoxyphenyl)acetyl]amino]coumarilic acid methyl ester Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)NC2=C(OC3=C2C=C(C=C3)Br)C(=O)OC)OCC

InChI

InChI=1S/C22H22BrNO6/c1-4-28-17-8-6-13(10-18(17)29-5-2)11-19(25)24-20-15-12-14(23)7-9-16(15)30-21(20)22(26)27-3/h6-10,12H,4-5,11H2,1-3H3,(H,24,25)