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

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(piperonylamino)propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5/c1-3-30-25(29)20-14-21(19-7-5-4-6-8-19)27(17(20)2)12-11-24(28)26-15-18-9-10-22-23(13-18)32-16-31-22/h4-10,13-14H,3,11-12,15-16H2,1-2H3,(H,26,28)