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

Systemtic Name: O3-ethyl O6-methyl 4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(4-benzylpiperazin-1-yl)quinoline-3,6-dicarboxylate CAS Name: 4-[4-(phenylmethyl)-1-piperazinyl]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(4-benzylpiperazin-1-yl)quinoline-3,6-dicarboxylate Traditional Name: 4-(4-benzylpiperazino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4/c1-3-32-25(30)21-16-26-22-10-9-19(24(29)31-2)15-20(22)23(21)28-13-11-27(12-14-28)17-18-7-5-4-6-8-18/h4-10,15-16H,3,11-14,17H2,1-2H3