diethyl 5-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC(C)C(=O)NC2=CC=C(C=C2)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N)C(=O)OCC

InChI

InChI=1S/C22H22N2O6/c1-4-28-21(26)16-10-17(22(27)29-5-2)12-19(11-16)30-14(3)20(25)24-18-8-6-15(13-23)7-9-18/h6-12,14H,4-5H2,1-3H3,(H,24,25)/t14-/m1/s1