ethyl 5-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(2S)-2-(4-cyanophenoxy)-1-oxopropoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(2S)-2-(4-cyanophenoxy)propanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C21H22N2O6/c1-5-27-21(26)18-12(2)19(23-13(18)3)17(24)11-28-20(25)14(4)29-16-8-6-15(10-22)7-9-16/h6-9,14,23H,5,11H2,1-4H3/t14-/m0/s1