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

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[4-keto-4-(piperonylamino)butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5/c1-3-31-26(30)21-15-22(20-8-5-4-6-9-20)28(18(21)2)13-7-10-25(29)27-16-19-11-12-23-24(14-19)33-17-32-23/h4-6,8-9,11-12,14-15H,3,7,10,13,16-17H2,1-2H3,(H,27,29)