4-(diethylamino)butan-2-yl 3-methyl-1-benzofuran-2-carboxylate; iodanylethane

Systemtic Name: 4-(diethylamino)butan-2-yl 3-methyl-1-benzofuran-2-carboxylate; iodanylethane Openeye Name: [3-(diethylamino)-1-methyl-propyl] 3-methylbenzofuran-2-carboxylate; iodoethane CAS Name: iodoethane; 3-methyl-2-benzofurancarboxylic acid 4-(diethylamino)butan-2-yl ester IUPAC Name: 4-(diethylamino)butan-2-yl 3-methyl-1-benzofuran-2-carboxylate; iodoethane Traditional Name: iodoethane; 3-methylcoumarilic acid [3-(diethylamino)-1-methyl-propyl] ester Formula: C20H30INO3 MolecularWeight: 459.36157

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C)OC(=O)C1=C(C2=CC=CC=C2O1)C.CCI

Isomeric SMILES

CCN(CC)CCC(C)OC(=O)C1=C(C2=CC=CC=C2O1)C.CCI

InChI

InChI=1S/C18H25NO3.C2H5I/c1-5-19(6-2)12-11-13(3)21-18(20)17-14(4)15-9-7-8-10-16(15)22-17;1-2-3/h7-10,13H,5-6,11-12H2,1-4H3;2H2,1H3