diethyl 5-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)O[C@H](C)C(=O)NC2(CCCCC2)C#N)C(=O)OCC

InChI

InChI=1S/C22H28N2O6/c1-4-28-20(26)16-11-17(21(27)29-5-2)13-18(12-16)30-15(3)19(25)24-22(14-23)9-7-6-8-10-22/h11-13,15H,4-10H2,1-3H3,(H,24,25)/t15-/m1/s1