ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-(piperonylcarbamoyl)pyrrole-2-carboxylic acid ethyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H22N2O5/c1-5-24-19(23)17-11(2)16(12(3)21(17)4)18(22)20-9-13-6-7-14-15(8-13)26-10-25-14/h6-8H,5,9-10H2,1-4H3,(H,20,22)