ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-1-[2-keto-2-(piperonylamino)ethyl]-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H23FN2O5 MolecularWeight: 438.448223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)F)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H23FN2O5/c1-3-30-24(29)19-11-20(17-5-7-18(25)8-6-17)27(15(19)2)13-23(28)26-12-16-4-9-21-22(10-16)32-14-31-21/h4-11H,3,12-14H2,1-2H3,(H,26,28)