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

Systemtic Name: dimethyl 5-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H18N2O6/c1-12(18(23)22-16-6-4-13(11-21)5-7-16)28-17-9-14(19(24)26-2)8-15(10-17)20(25)27-3/h4-10,12H,1-3H3,(H,22,23)/t12-/m1/s1