ethyl 5-[2-(2-methanoyl-5-propoxy-phenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2-methanoyl-5-propoxy-phenoxy)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(2-formyl-5-propoxy-phenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(2-formyl-5-propoxyphenoxy)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-formyl-5-propoxyphenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(2-formyl-5-propoxy-phenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C21H25NO6/c1-5-9-27-16-8-7-15(11-23)18(10-16)28-12-17(24)20-13(3)19(14(4)22-20)21(25)26-6-2/h7-8,10-11,22H,5-6,9,12H2,1-4H3