O3-ethyl O6-methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 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 O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate Traditional Name: 4-(4-piperonylpiperazino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C26H27N3O6/c1-3-33-26(31)20-14-27-21-6-5-18(25(30)32-2)13-19(21)24(20)29-10-8-28(9-11-29)15-17-4-7-22-23(12-17)35-16-34-22/h4-7,12-14H,3,8-11,15-16H2,1-2H3