[2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-bis(oxidanylidene)propan-2-yl] furan-2-carboxylate

Systemtic Name: [2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-bis(oxidanylidene)propan-2-yl] furan-2-carboxylate Openeye Name: [1-(bromomethyl)-1-(cyclohexylcarbamoyl)-2-ethoxy-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-dioxopropan-2-yl] ester IUPAC Name: [2-(bromomethyl)-1-(cyclohexylamino)-3-ethoxy-1,3-dioxopropan-2-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [1-(bromomethyl)-1-carbethoxy-2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CBr)(C(=O)NC1CCCCC1)OC(=O)C2=CC=CO2

Isomeric SMILES

CCOC(=O)C(CBr)(C(=O)NC1CCCCC1)OC(=O)C2=CC=CO2

InChI

InChI=1S/C17H22BrNO6/c1-2-23-16(22)17(11-18,25-14(20)13-9-6-10-24-13)15(21)19-12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,21)