(E)-3-[7-(3-chloranylpropoxy)-2-ethanoyl-1-benzofuran-4-yl]-N,N-diethyl-but-2-enamide

Systemtic Name: (E)-3-[7-(3-chloranylpropoxy)-2-ethanoyl-1-benzofuran-4-yl]-N,N-diethyl-but-2-enamide Openeye Name: (E)-3-[2-acetyl-7-(3-chloropropoxy)benzofuran-4-yl]-N,N-diethyl-but-2-enamide CAS Name: (E)-3-[2-acetyl-7-(3-chloropropoxy)-4-benzofuranyl]-N,N-diethyl-2-butenamide IUPAC Name: (E)-3-[2-acetyl-7-(3-chloropropoxy)-1-benzofuran-4-yl]-N,N-diethylbut-2-enamide Traditional Name: (E)-3-[2-acetyl-7-(3-chloropropoxy)benzofuran-4-yl]-N,N-diethyl-but-2-enamide Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=C(C)C1=C2C=C(OC2=C(C=C1)OCCCCl)C(=O)C

Isomeric SMILES

CCN(CC)C(=O)/C=C(\C)/C1=C2C=C(OC2=C(C=C1)OCCCCl)C(=O)C

InChI

InChI=1S/C21H26ClNO4/c1-5-23(6-2)20(25)12-14(3)16-8-9-18(26-11-7-10-22)21-17(16)13-19(27-21)15(4)24/h8-9,12-13H,5-7,10-11H2,1-4H3/b14-12+