methyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-[(4-piperonylpiperazino)methyl]furan-3-carboxylic acid methyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C20H24N2O5/c1-14-17(20(23)24-2)10-16(27-14)12-22-7-5-21(6-8-22)11-15-3-4-18-19(9-15)26-13-25-18/h3-4,9-10H,5-8,11-13H2,1-2H3