diethyl 5-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC2(CCCCC2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OCC(=O)NC2(CCCCC2)C#N)C(=O)OCC

InChI

InChI=1S/C21H26N2O6/c1-3-27-19(25)15-10-16(20(26)28-4-2)12-17(11-15)29-13-18(24)23-21(14-22)8-6-5-7-9-21/h10-12H,3-9,13H2,1-2H3,(H,23,24)