diethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate Traditional Name: 4-(4-piperonylpiperazino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O6/c1-3-33-26(31)19-6-7-22-20(14-19)25(21(15-28-22)27(32)34-4-2)30-11-9-29(10-12-30)16-18-5-8-23-24(13-18)36-17-35-23/h5-8,13-15H,3-4,9-12,16-17H2,1-2H3