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

Systemtic Name: ethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(4-piperonylpiperazino)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C24H31N3O5/c1-5-30-24(29)21-15(2)22(25-16(21)3)23(28)17(4)27-10-8-26(9-11-27)13-18-6-7-19-20(12-18)32-14-31-19/h6-7,12,17,25H,5,8-11,13-14H2,1-4H3