methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-(4-piperonylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C)C(=O)OC

InChI

InChI=1S/C22H27N3O5/c1-4-16-19(22(27)28-3)14(2)20(23-16)21(26)25-9-7-24(8-10-25)12-15-5-6-17-18(11-15)30-13-29-17/h5-6,11,23H,4,7-10,12-13H2,1-3H3