iodanylethane; 2-piperidin-1-ylethyl 5-methyl-1-benzofuran-2-carboxylate

Systemtic Name: iodanylethane; 2-piperidin-1-ylethyl 5-methyl-1-benzofuran-2-carboxylate Openeye Name: iodoethane; 2-(1-piperidyl)ethyl 5-methylbenzofuran-2-carboxylate CAS Name: iodoethane; 5-methyl-2-benzofurancarboxylic acid 2-(1-piperidinyl)ethyl ester IUPAC Name: iodoethane; 2-piperidin-1-ylethyl 5-methyl-1-benzofuran-2-carboxylate Traditional Name: iodoethane; 5-methylcoumarilic acid 2-piperidinoethyl ester Formula: C19H26INO3 MolecularWeight: 443.31911

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Descriptors Computed from Structure

Canonical SMILES:

CCI.CC1=CC2=C(C=C1)OC(=C2)C(=O)OCCN3CCCCC3

Isomeric SMILES

CCI.CC1=CC2=C(C=C1)OC(=C2)C(=O)OCCN3CCCCC3

InChI

InChI=1S/C17H21NO3.C2H5I/c1-13-5-6-15-14(11-13)12-16(21-15)17(19)20-10-9-18-7-3-2-4-8-18;1-2-3/h5-6,11-12H,2-4,7-10H2,1H3;2H2,1H3