iodanylethane; piperidin-1-ylmethyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: iodanylethane; piperidin-1-ylmethyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: iodoethane; 1-piperidylmethyl 3-methylbenzofuran-2-carboxylate CAS Name: iodoethane; 3-methyl-2-benzofurancarboxylic acid 1-piperidinylmethyl ester IUPAC Name: iodoethane; piperidin-1-ylmethyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: iodoethane; 3-methylcoumarilic acid piperidinomethyl ester Formula: C18H24INO3 MolecularWeight: 429.29253

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Descriptors Computed from Structure

Canonical SMILES:

CCI.CC1=C(OC2=CC=CC=C12)C(=O)OCN3CCCCC3

Isomeric SMILES

CCI.CC1=C(OC2=CC=CC=C12)C(=O)OCN3CCCCC3

InChI

InChI=1S/C16H19NO3.C2H5I/c1-12-13-7-3-4-8-14(13)20-15(12)16(18)19-11-17-9-5-2-6-10-17;1-2-3/h3-4,7-8H,2,5-6,9-11H2,1H3;2H2,1H3