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

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanylidene-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxo-propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-(piperonylamino)propyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-4-32-26(30)21-14-22(19-6-8-20(31-3)9-7-19)28(17(21)2)12-11-25(29)27-15-18-5-10-23-24(13-18)34-16-33-23/h5-10,13-14H,4,11-12,15-16H2,1-3H3,(H,27,29)