[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H26N2O5/c1-3-27-13-17-16-9-5-6-10-18(16)29-19(17)21(26)28-15(2)20(25)24-22(14-23)11-7-4-8-12-22/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3,(H,24,25)